Juan J. de Pablo, Ph.D. - Publications

Affiliations: 
Institute of Molecular Engineering University of Chicago, Chicago, IL 
Area:
polymer
Website:
http://ime.uchicago.edu/de_pablo_lab/people/juan_de_pablo/

280 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Molina J, de Pablo JJ, Hernández-Ortiz JP. Structure and proton conduction in sulfonated poly(ether ether ketone) semi-permeable membranes: a multi-scale computational approach. Physical Chemistry Chemical Physics : Pccp. PMID 30994661 DOI: 10.1039/c9cp00598f  0.64
2018 Molla MR, Rangadurai P, Antony L, Swaminathan S, de Pablo JJ, Thayumanavan S. Author Correction: Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface. Nature Chemistry. PMID 29955169 DOI: 10.1038/s41557-018-0090-z  0.56
2018 Molla MR, Rangadurai P, Antony L, Swaminathan S, de Pablo JJ, Thayumanavan S. Dynamic actuation of glassy polymersomes through isomerization of a single azobenzene unit at the block copolymer interface. Nature Chemistry. PMID 29713034 DOI: 10.1038/s41557-018-0027-6  0.56
2016 Martel A, Antony L, Gerelli Y, Porcar L, Fluitt A, Hoffmann K, Kiesel I, Vivaudou M, Fragneto G, de Pablo JJ. Membrane Permeation versus Amyloidogenicity: A Multitechnique Study of Islet Amyloid Polypeptide Interaction with Model Membranes. Journal of the American Chemical Society. PMID 27997176 DOI: 10.1021/jacs.6b06985  0.56
2016 Zhang R, Roberts T, Aranson IS, de Pablo JJ. Lattice Boltzmann simulation of asymmetric flow in nematic liquid crystals with finite anchoring. The Journal of Chemical Physics. 144: 084905. PMID 26931724 DOI: 10.1063/1.4940342  1
2016 Qin J, Li J, Lee V, Jaeger H, de Pablo JJ, Freed KF. A theory of interactions between polarizable dielectric spheres. Journal of Colloid and Interface Science. 469: 237-241. PMID 26896771 DOI: 10.1016/j.jcis.2016.02.033  1
2016 Córdoba A, Stieger T, Mazza MG, Schoen M, De Pablo JJ. Anisotropy and probe-medium interactions in the microrheology of nematic fluids Journal of Rheology. 60: 75-95. DOI: 10.1122/1.4935849  1
2015 Armas-Pérez JC, Hernández-Ortiz JP, de Pablo JJ. Liquid crystal free energy relaxation by a theoretically informed Monte Carlo method using a finite element quadrature approach. The Journal of Chemical Physics. 143: 243157. PMID 26723642 DOI: 10.1063/1.4937628  1
2015 Ramírez-Hernández A, Peters BL, Andreev M, Schieber JD, de Pablo JJ. A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology. The Journal of Chemical Physics. 143: 243147. PMID 26723632 DOI: 10.1063/1.4936878  1
2015 Miskin MZ, Khaira G, de Pablo JJ, Jaeger HM. Turning statistical physics models into materials design engines. Proceedings of the National Academy of Sciences of the United States of America. PMID 26684770 DOI: 10.1073/pnas.1509316112  1
2015 Hinckley DM, de Pablo JJ. Coarse-Grained Ions for Nucleic Acid Modeling. Journal of Chemical Theory and Computation. 11: 5436-46. PMID 26574332 DOI: 10.1021/acs.jctc.5b00341  1
2015 Hur SM, Thapar V, Ramírez-Hernández A, Khaira G, Segal-Peretz T, Rincon-Delgadillo PA, Li W, Müller M, Nealey PF, de Pablo JJ. Molecular pathways for defect annihilation in directed self-assembly. Proceedings of the National Academy of Sciences of the United States of America. 112: 14144-9. PMID 26515095 DOI: 10.1073/pnas.1508225112  1
2015 Martínez-González JA, Zhou Y, Rahimi M, Bukusoglu E, Abbott NL, de Pablo JJ. Blue-phase liquid crystal droplets. Proceedings of the National Academy of Sciences of the United States of America. PMID 26460039 DOI: 10.1073/pnas.1514251112  1
2015 Bukusoglu E, Wang X, Martinez-Gonzalez JA, de Pablo JJ, Abbott NL. Stimuli-Responsive Cubosomes Formed from Blue Phase Liquid Crystals. Advanced Materials (Deerfield Beach, Fla.). PMID 26437178 DOI: 10.1002/adma.201503484  0.32
2015 Wang X, Miller DS, Bukusoglu E, de Pablo JJ, Abbott NL. Topological defects in liquid crystals as templates for molecular self-assembly. Nature Materials. PMID 26390324 DOI: 10.1038/nmat4421  0.32
2015 Lyubimov I, Antony L, Walters DM, Rodney D, Ediger MD, de Pablo JJ. Orientational anisotropy in simulated vapor-deposited molecular glasses. The Journal of Chemical Physics. 143: 094502. PMID 26342372 DOI: 10.1063/1.4928523  1
2015 Fluitt AM, de Pablo JJ. An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution. Biophysical Journal. 109: 1009-18. PMID 26331258 DOI: 10.1016/j.bpj.2015.07.018  1
2015 Armas-Pérez JC, Londono-Hurtado A, Guzmán O, Hernández-Ortiz JP, de Pablo JJ. Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields. The Journal of Chemical Physics. 143: 044107. PMID 26233107 DOI: 10.1063/1.4926790  1
2015 Whitmer JK, Fluitt AM, Antony L, Qin J, McGovern M, de Pablo JJ. Sculpting bespoke mountains: Determining free energies with basis expansions. The Journal of Chemical Physics. 143: 044101. PMID 26233101 DOI: 10.1063/1.4927147  0.76
2015 Hoffmann KQ, McGovern M, Chiu CC, de Pablo JJ. Secondary Structure of Rat and Human Amylin across Force Fields. Plos One. 10: e0134091. PMID 26221949 DOI: 10.1371/journal.pone.0134091  1
2015 Hernández-Ortiz JP, de Pablo JJ. Self-consistent description of electrokinetic phenomena in particle-based simulations. The Journal of Chemical Physics. 143: 014108. PMID 26156466 DOI: 10.1063/1.4923342  0.64
2015 Londoño-Hurtado A, Armas-Pérez JC, Hernández-Ortiz JP, de Pablo JJ. Homeotropic nano-particle assembly on degenerate planar nematic interfaces: films and droplets. Soft Matter. 11: 5067-76. PMID 26027806 DOI: 10.1039/c5sm00940e  0.64
2015 Segal-Peretz T, Winterstein J, Doxastakis M, Ramírez-Hernández A, Biswas M, Ren J, Suh HS, Darling SB, Liddle JA, Elam JW, de Pablo JJ, Zaluzec NJ, Nealey PF. Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography. Acs Nano. 9: 5333-47. PMID 25919347 DOI: 10.1021/acsnano.5b01013  1
2015 Rahimi M, Roberts TF, Armas-Pérez JC, Wang X, Bukusoglu E, Abbott NL, de Pablo JJ. Nanoparticle self-assembly at the interface of liquid crystal droplets. Proceedings of the National Academy of Sciences of the United States of America. 112: 5297-302. PMID 25870304 DOI: 10.1073/pnas.1422785112  1
2015 Dalal SS, Walters DM, Lyubimov I, de Pablo JJ, Ediger MD. Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors. Proceedings of the National Academy of Sciences of the United States of America. 112: 4227-32. PMID 25831545 DOI: 10.1073/pnas.1421042112  1
2015 Lequieu JP, Hinckley DM, de Pablo JJ. A molecular view of DNA-conjugated nanoparticle association energies. Soft Matter. 11: 1919-29. PMID 25611690 DOI: 10.1039/c4sm02573c  1
2015 Hoffmann KQ, Perry SL, Leon L, Priftis D, Tirrell M, de Pablo JJ. A molecular view of the role of chirality in charge-driven polypeptide complexation. Soft Matter. 11: 1525-38. PMID 25589156 DOI: 10.1039/c4sm02336f  1
2015 Perry SL, Leon L, Hoffmann KQ, Kade MJ, Priftis D, Black KA, Wong D, Klein RA, Pierce CF, Margossian KO, Whitmer JK, Qin J, de Pablo JJ, Tirrell M. Chirality-selected phase behaviour in ionic polypeptide complexes. Nature Communications. 6: 6052. PMID 25586861 DOI: 10.1038/ncomms7052  1
2015 Guaita M, Salamero M, Vilaseca I, Iranzo A, Montserrat JM, Gaig C, Embid C, Romero M, Serradell M, León C, De Pablo J, Santamaria J. The Barcelona sleepiness index: A new instrument to assess excessive daytime sleepiness in sleep disordered breathing Journal of Clinical Sleep Medicine. 11: 1289-1298. DOI: 10.5664/jcsm.5188  0.44
2015 Gaviria AM, Franco JG, Aguado V, Rico G, Labad J, De Pablo J, Vilella E. A non-interventional naturalistic study of the prescription patterns of antipsychotics in patients with schizophrenia from the Spanish province of Tarragona Plos One. 10. DOI: 10.1371/journal.pone.0139403  0.44
2015 Garner G, Williamson L, Seidel R, Rincon Delgadillo P, Hur SM, Gronheid R, Nealey PF, De Pablo JJ. The effects of geometry and chemistry of nanopatterned substrates on the directed self-assembly of block-copolymer melts Proceedings of Spie - the International Society For Optical Engineering. 9423. DOI: 10.1117/12.2085987  1
2015 Doxastakis M, Suh HS, Chen X, Rincon Delgadillo PA, Wan L, Williamson L, Jiang Z, Strzalka J, Wang J, Chen W, Ferrier N, Ramirez-Hernandez A, De Pablo JJ, Gronheid R, Nealey P. Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings Proceedings of Spie - the International Society For Optical Engineering. 9424. DOI: 10.1117/12.2085824  1
2015 Martínez-Torrents A, Giménez J, De Pablo J, Casas I. UO2 as new filling material for cesium retention in high-level nuclear waste repositories Environmental Engineering Science. 32: 854-857. DOI: 10.1089/ees.2015.0129  0.44
2015 Whitmer JK, Fluitt AM, Antony L, Qin J, McGovern M, De Pablo JJ. Sculpting bespoke mountains: Determining free energies with basis expansions Journal of Chemical Physics. 143. DOI: 10.1063/1.4927147  1
2015 Hernández-Ortiz JP, De Pablo JJ. Self-consistent description of electrokinetic phenomena in particle-based simulations Journal of Chemical Physics. 143. DOI: 10.1063/1.4923342  1
2015 Chiu CC, De Pablo JJ. Fibrillar dimer formation of islet amyloid polypeptides Aip Advances. 5. DOI: 10.1063/1.4921073  1
2015 Londoño-Hurtado A, Armas-Pérez JC, Hernández-Ortiz JP, De Pablo JJ. Homeotropic nano-particle assembly on degenerate planar nematic interfaces: films and droplets Soft Matter. 11: 5067-5076. DOI: 10.1039/c5sm00940e  1
2015 Lequieu JP, Hinckley DM, De Pablo JJ. A molecular view of DNA-conjugated nanoparticle association energies Soft Matter. 11: 1919-1929. DOI: 10.1039/c4sm02573c  1
2015 Hur SM, Khaira GS, Ramírez-Hernández A, Müller M, Nealey PF, De Pablo JJ. Simulation of defect reduction in block copolymer thin films by solvent annealing Acs Macro Letters. 4: 11-15. DOI: 10.1021/mz500705q  1
2015 Hur SM, Onses MS, Ramírez-Hernández A, Nealey PF, Rogers JA, De Pablo JJ. Interplay of Surface Energy and Bulk Thermodynamic Forces in Ordered Block Copolymer Droplets Macromolecules. 48: 4717-4723. DOI: 10.1021/acs.macromol.5b00630  1
2015 Martínez-Torrents A, Meca S, Baumann N, Martí V, Giménez J, De Pablo J, Casas I. Errautm:Uranium speciation studies at alkaline pH and in the presence of hydrogen peroxide using time-resolved laser-induced fluorescence spectroscopy (Polyhedron (2013) 55 (92-101)) Polyhedron. 90: 266. DOI: 10.1016/j.poly.2015.02.016  0.44
2015 Espriu-Gascon A, Llorca J, Domínguez M, Giménez J, Casas I, De Pablo J. UO2 surface oxidation by mixtures of water vapor and hydrogen as a function of temperature Journal of Nuclear Materials. 467: 240-243. DOI: 10.1016/j.jnucmat.2015.09.047  0.44
2015 González-Robles E, Serrano-Purroy D, Sureda R, Casas I, De Pablo J. Dissolution experiments of commercial PWR (52 MWd/kgU) and BWR (53 MWd/kgU) spent nuclear fuel cladded segments in bicarbonate water under oxidizing conditions. Experimental determination of matrix and instant release fraction Journal of Nuclear Materials. 465: 63-70. DOI: 10.1016/j.jnucmat.2015.05.012  0.44
2015 Cicerone MT, Averett D, De Pablo JJ. The role of hopping on transport above Tc in glycerol Journal of Non-Crystalline Solids. 407: 118-125. DOI: 10.1016/j.jnoncrysol.2014.09.004  1
2015 Cruz FJAL, de Pablo JJ, Mota JPB. Nanoscopic Characterization of DNA within Hydrophobic Pores: Thermodynamics and Kinetics Biochemical Engineering Journal. DOI: 10.1016/j.bej.2015.04.027  1
2015 Martínez-Torrents A, Giménez J, Martínez-Lladó X, de Pablo J, Casas I. Incorporation of selenium(IV) and selenium(VI) on uranyl peroxide Journal of Radioanalytical and Nuclear Chemistry. 303: 153-159. DOI: 10.1007/s10967-014-3323-7  0.44
2015 Peters BL, Rathsack B, Somervell M, Nakano T, Schmid G, De Pablo JJ. Graphoepitaxial assembly of cylinder forming block copolymers in cylindrical holes Journal of Polymer Science, Part B: Polymer Physics. 53: 430-441. DOI: 10.1002/polb.23652  1
2015 Sadati M, Apik AI, Armas-Perez JC, Martinez-Gonzalez J, Hernandez-Ortiz JP, Abbott NL, De Pablo JJ. Liquid Crystal Enabled Early Stage Detection of Beta Amyloid Formation on Lipid Monolayers Advanced Functional Materials. 25: 6050-6060. DOI: 10.1002/adfm.201502830  1
2014 Whitmer JK, Joshi AA, Carlton RJ, Abbott NL, de Pablo JJ. Surface Adsorption in Nonpolarizable Atomic Models. Journal of Chemical Theory and Computation. 10: 5616-5624. PMID 26583244 DOI: 10.1021/ct5005406  0.76
2014 Wang X, Miller DS, de Pablo JJ, Abbott NL. Reversible Switching of Liquid Crystalline Order Permits Synthesis of Homogeneous Populations of Dipolar Patchy Microparticles. Advanced Functional Materials. 24: 6219-6226. PMID 25484850 DOI: 10.1002/adfm.201400911  1
2014 Whitmer JK, Chiu CC, Joshi AA, de Pablo JJ. Basis function sampling: a new paradigm for material property computation. Physical Review Letters. 113: 190602. PMID 25415892 DOI: 10.1103/PhysRevLett.113.190602  1
2014 Freeman GS, Hinckley DM, Lequieu JP, Whitmer JK, de Pablo JJ. Coarse-grained modeling of DNA curvature. The Journal of Chemical Physics. 141: 165103. PMID 25362344 DOI: 10.1063/1.4897649  1
2014 Li W, Nealey PF, de Pablo JJ, Müller M. Defect removal in the course of directed self-assembly is facilitated in the vicinity of the order-disorder transition. Physical Review Letters. 113: 168301. PMID 25361283 DOI: 10.1103/PhysRevLett.113.168301  1
2014 Freeman GS, Lequieu JP, Hinckley DM, Whitmer JK, De Pablo JJ. DNA shape dominates sequence affinity in nucleosome formation Physical Review Letters. 113. PMID 25361282 DOI: 10.1103/PhysRevLett.113.168101  1
2014 Wang X, Miller DS, de Pablo JJ, Abbott NL. Organized assemblies of colloids formed at the poles of micrometer-sized droplets of liquid crystal. Soft Matter. 10: 8821-8. PMID 25284139 DOI: 10.1039/c4sm01784f  1
2014 Hinckley DM, Lequieu JP, de Pablo JJ. Coarse-grained modeling of DNA oligomer hybridization: length, sequence, and salt effects. The Journal of Chemical Physics. 141: 035102. PMID 25053341 DOI: 10.1063/1.4886336  1
2014 Cruz FJAL, De Pablo JJ, Mota JPB. Endohedral confinement of a DNA dodecamer onto pristine carbon nanotubes and the stability of the canonical B form Journal of Chemical Physics. 140. PMID 24929415 DOI: 10.1063/1.4881422  1
2014 Onses MS, Ramírez-Hernández A, Hur SM, Sutanto E, Williamson L, Alleyne AG, Nealey PF, de Pablo JJ, Rogers JA. Block copolymer assembly on nanoscale patterns of polymer brushes formed by electrohydrodynamic jet printing. Acs Nano. 8: 6606-13. PMID 24882265 DOI: 10.1021/nn5022605  1
2014 Lin PH, Lyubimov I, Yu L, Ediger MD, de Pablo JJ. Molecular modeling of vapor-deposited polymer glasses. The Journal of Chemical Physics. 140: 204504. PMID 24880298 DOI: 10.1063/1.4876078  1
2014 Joshi AA, Whitmer JK, Guzmán O, Abbott NL, de Pablo JJ. Measuring liquid crystal elastic constants with free energy perturbations. Soft Matter. 10: 882-93. PMID 24837037 DOI: 10.1039/c3sm51919h  1
2014 Bukusoglu E, Pal SK, de Pablo JJ, Abbott NL. Colloid-in-liquid crystal gels formed via spinodal decomposition. Soft Matter. 10: 1602-10. PMID 24651134 DOI: 10.1039/c3sm51877a  1
2014 Buchanan LE, Carr JK, Fluitt AM, Hoganson AJ, Moran SD, de Pablo JJ, Skinner JL, Zanni MT. Structural motif of polyglutamine amyloid fibrils discerned with mixed-isotope infrared spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 111: 5796-801. PMID 24550484 DOI: 10.1073/pnas.1401587111  1
2014 Martínez-Torrents A, Giménez J, Casas I, De Pablo J. Design of a new reactor to work at low volume liquid/surface solid ratio and high pressure and temperature: Dissolution rate studies of UO2 under both anoxic and reducing conditions Materials Research Society Symposium Proceedings. 1665: 303-309. DOI: 10.1557/opl.20l4.659  0.44
2014 Serrano-Purroy D, De Las Heras LA, Glatz JP, Benes O, Colle JY, Sureda R, Gonzalez-Robles E, De Pablo J, Casas I, Barrachin M, Dubourg R, Martínez-Esparza A. Interpretation of Knudsen cell experiments to determine the Instant Release Fraction in spent fuel corrosion scenarios by using a mechanistic approach: The caesium case Materials Research Society Symposium Proceedings. 1665: 275-281. DOI: 10.1557/opl.2014.655  0.44
2014 Rojo I, Clarens F, De Pablo J, Domènech C, Duro L, Grivé M, Arcos D. Quantification of pyrrhotiye O2 consumption by using pyrite oxidation kinetic data Materials Research Society Symposium Proceedings. 1665: 93-101. DOI: 10.1557/opl.2014.633  0.44
2014 Seidel R, Delgadillo PR, Ramirez-Hernandez A, Wu H, Her Y, Yin J, Nealey P, De Pablo J, Gronheid R. Investigation of cross-linking poly(methyl methacrylate) as a guiding material in block copolymer directed self-assembly Proceedings of Spie - the International Society For Optical Engineering. 9051. DOI: 10.1117/12.2048179  1
2014 Torres JA, Sakajiri K, Fryer D, Granik Y, Ma Y, Krasnova P, Fenger G, Nagahara S, Kawakami S, Rathsack B, Khaira G, De Pablo J, Ryckaert J. Physical verification and manufacturing of contact/via layers using grapho-epitaxy DSA processes Proceedings of Spie - the International Society For Optical Engineering. 9053. DOI: 10.1117/12.2045328  1
2014 Rojo I, Rovira M, De Pablo J. Selenate diffusion through mortar and concrete Environmental Engineering Science. 31: 469-473. DOI: 10.1089/ees.2014.0037  0.44
2014 Freeman GS, Hinckley DM, Lequieu JP, Whitmer JK, De Pablo JJ. Coarse-grained modeling of DNA curvature Journal of Chemical Physics. 141. DOI: 10.1063/1.4897649  1
2014 Hinckley DM, Lequieu JP, De Pablo JJ. Coarse-grained modeling of DNA oligomer hybridization: Length, sequence, and salt effects Journal of Chemical Physics. 141. DOI: 10.1063/1.4886336  1
2014 Cruz FJAL, De Pablo JJ, Mota JPB. Free energy landscapes of the encapsulation mechanism of DNA nucleobases onto carbon nanotubes Rsc Advances. 4: 1310-1321. DOI: 10.1039/c3ra45033c  1
2014 Khaira GS, Qin J, Garner GP, Xiong S, Wan L, Ruiz R, Jaeger HM, Nealey PF, De Pablo JJ. Evolutionary optimization of directed self-assembly of triblock copolymers on chemically patterned substrates Acs Macro Letters. 3: 747-752. DOI: 10.1021/mz5002349  1
2014 Qin J, Priftis D, Farina R, Perry SL, Leon L, Whitmer J, Hoffmann K, Tirrell M, De Pablo JJ. Interfacial tension of polyelectrolyte complex coacervate phases Acs Macro Letters. 3: 565-568. DOI: 10.1021/mz500190w  1
2014 Ramírez-Hernández A, Suh HS, Nealey PF, De Pablo JJ. Control of directed self-assembly in block polymers by polymeric topcoats Macromolecules. 47: 3520-3527. DOI: 10.1021/ma500411q  1
2014 Priftis D, Xia X, Margossian KO, Perry SL, Leon L, Qin J, De Pablo JJ, Tirrell M. Ternary, tunable polyelectrolyte complex fluids driven by complex coacervation Macromolecules. 47: 3076-3085. DOI: 10.1021/ma500245j  1
2014 Whitmer JK, Joshi AA, Carlton RJ, Abbott NL, De Pablo JJ. Surface adsorption in nonpolarizable atomic models Journal of Chemical Theory and Computation. 10: 5616-5624. DOI: 10.1021/ct5005406  1
2014 Franco JG, de Pablo J, Gaviria AM, Sepúlveda E, Vilella E. Smooth pursuit eye movements and schizophrenia: Literature review | Movimientos de seguimiento ocular lento y esquizofrenia: revisión de la literatura Archivos De La Sociedad Espanola De Oftalmologia. DOI: 10.1016/j.oftal.2014.02.007  0.44
2014 De Pablo JJ, Jones B, Kovacs CL, Ozolins V, Ramirez AP. The Materials Genome Initiative, the interplay of experiment, theory and computation Current Opinion in Solid State and Materials Science. 18: 99-117. DOI: 10.1016/j.cossms.2014.02.003  1
2014 Giménez J, De Pablo J, Casas I, Martínez-Lladó X, Rovira M, Martínez Torrents A. Solubility study and point of zero charge of studtite (UO2O2·4H2O) Applied Geochemistry. 49: 42-45. DOI: 10.1016/j.apgeochem.2014.07.004  0.44
2014 Martí V, Jubany I, Pérez C, Rubio X, De Pablo J, Giménez J. Human health risk assessment of a landfill based on volatile organic compounds emission, immission and soil gas concentration measurements Applied Geochemistry. 49: 218-224. DOI: 10.1016/j.apgeochem.2014.06.018  0.44
2014 Cruz FJAL, Mota JPB, De Pablo JJ. Confinement of a DNA dodecamer onto pristine carbon nanotubes and the stability of the canonical B form Nanoscale Science and Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 506-509.  1
2014 Duro L, Casas I, Giménez J, De Pablo J. Preface Materials Research Society Symposium Proceedings. 1665: xi.  0.44
2013 Kounovsky-Shafer KL, Hernández-Ortiz JP, Jo K, Odijk T, de Pablo JJ, Schwartz DC. Presentation of large DNA molecules for analysis as nanoconfined dumbbells. Macromolecules. 46: 8356-8368. PMID 24683272 DOI: 10.1021/ma400926h  1
2013 Whitmer JK, Wang X, Mondiot F, Miller DS, Abbott NL, de Pablo JJ. Nematic-field-driven positioning of particles in liquid crystal droplets. Physical Review Letters. 111: 227801. PMID 24329470  0.76
2013 Buchanan LE, Dunkelberger EB, Tran HQ, Cheng PN, Chiu CC, Cao P, Raleigh DP, de Pablo JJ, Nowick JS, Zanni MT. Mechanism of IAPP amyloid fibril formation involves an intermediate with a transient β-sheet. Proceedings of the National Academy of Sciences of the United States of America. 110: 19285-90. PMID 24218609 DOI: 10.1073/pnas.1314481110  1
2013 Hinckley DM, Freeman GS, Whitmer JK, De Pablo JJ. An experimentally-informed coarse-grained 3-site-per-nucleotide model of DNA: Structure, thermodynamics, and dynamics of hybridization Journal of Chemical Physics. 139. PMID 24116642 DOI: 10.1063/1.4822042  1
2013 Lyubimov I, Ediger MD, de Pablo JJ. Model vapor-deposited glasses: growth front and composition effects. The Journal of Chemical Physics. 139: 144505. PMID 24116633 DOI: 10.1063/1.4823769  1
2013 Chiu CC, Singh S, De Pablo JJ. Effect of proline mutations on the monomer conformations of amylin Biophysical Journal. 105: 1227-1235. PMID 24010666 DOI: 10.1016/j.bpj.2013.07.029  1
2013 Whitmer JK, Joshi AA, Roberts TF, de Pablo JJ. Liquid-crystal mediated nanoparticle interactions and gel formation. The Journal of Chemical Physics. 138: 194903. PMID 23697437 DOI: 10.1063/1.4802774  1
2013 Singh S, Chiu CC, Reddy AS, de Pablo JJ. α-helix to β-hairpin transition of human amylin monomer. The Journal of Chemical Physics. 138: 155101. PMID 23614446 DOI: 10.1063/1.4798460  1
2013 Mondiot F, Wang X, de Pablo JJ, Abbott NL. Liquid crystal-based emulsions for synthesis of spherical and non-spherical particles with chemical patches. Journal of the American Chemical Society. 135: 9972-5. PMID 23600692 DOI: 10.1021/ja4022182  1
2013 Freeman GS, de Pablo JJ. Pack it up, pack it in: unraveling H-NS mediated genome packaging. Biophysical Journal. 104: 1397-8. PMID 23561514 DOI: 10.1016/j.bpj.2013.02.039  1
2013 Agarwal A, Sidiq S, Setia S, Bukusoglu E, de Pablo JJ, Pal SK, Abbott NL. Colloid-in-liquid crystal gels that respond to biomolecular interactions. Small (Weinheim An Der Bergstrasse, Germany). 9: 2785-92, 2784. PMID 23554243 DOI: 10.1002/smll.201202869  1
2013 Whitmer JK, Roberts TF, Shekhar R, Abbott NL, de Pablo JJ. Modeling the polydomain-monodomain transition of liquid crystal elastomers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 020502. PMID 23496448 DOI: 10.1103/PhysRevE.87.020502  1
2013 Xiong S, Dunphy DR, Wilkinson DC, Jiang Z, Strzalka J, Wang J, Su Y, de Pablo JJ, Brinker CJ. Revealing the interfacial self-assembly pathway of large-scale, highly-ordered, nanoparticle/polymer monolayer arrays at an air/water interface. Nano Letters. 13: 1041-6. PMID 23360394 DOI: 10.1021/nl304253y  1
2013 Singh S, Ediger MD, de Pablo JJ. Ultrastable glasses from in silico vapour deposition. Nature Materials. 12: 139-44. PMID 23291708 DOI: 10.1038/nmat3521  1
2013 Yoshida H, Suh HS, Ramírez-Hernández A, Lee JI, Aida K, Wan L, Ishida Y, Tada Y, Ruiz R, de Pablo J, Nealey PF. Topcoat approaches for directed self-assembly of strongly segregating block copolymer thin films Journal of Photopolymer Science and Technology. 26: 55-58. DOI: 10.2494/photopolymer.26.55  1
2013 Müller M, De Pablo JJ. Computational approaches for the dynamics of structure formation in self-assembling polymeric materials Annual Review of Materials Research. 43: 1-34. DOI: 10.1146/annurev-matsci-071312-121618  1
2013 Whitmer JK, Wang X, Mondiot F, Miller DS, Abbott NL, De Pablo JJ. Nematic-field-driven positioning of particles in liquid crystal droplets Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.227801  1
2013 Llenas L, Ribera G, Martínez-Lladó X, Rovira M, de Pablo J. Selection of nanofiltration membranes as pretreatment for scaling prevention in SWRO using real seawater Desalination and Water Treatment. 51: 930-935. DOI: 10.1080/19443994.2012.714578  0.44
2013 Ribera G, Llenas L, Rovira M, de Pablo J, Martinez-Llado X. Pilot plant comparison study of two commercial nanofiltration membranes in a drinking water treatment plant Desalination and Water Treatment. 51: 448-457. DOI: 10.1080/19443994.2012.714528  0.44
2013 Ribera G, Llenas L, Martínez X, Rovira M, de Pablo J. Comparison of nanofiltration membranes' performance in flat sheet and spiral wound configurations: A scale-up study Desalination and Water Treatment. 51: 458-468. DOI: 10.1080/19443994.2012.714527  0.44
2013 McGovern M, De Pablo J. A boundary correction algorithm for metadynamics in multiple dimensions Journal of Chemical Physics. 139. DOI: 10.1063/1.4818153  1
2013 Qin J, Khaira GS, Su Y, Garner GP, Miskin M, Jaeger HM, De Pablo JJ. Evolutionary pattern design for copolymer directed self-assembly Soft Matter. 9: 11467-11472. DOI: 10.1039/c3sm51971f  1
2013 Ramírez-Hernández A, Müller M, De Pablo JJ. Theoretically informed entangled polymer simulations: Linear and non-linear rheology of melts Soft Matter. 9: 2030-2036. DOI: 10.1039/c2sm26674a  1
2013 Ramírez-Hernández A, Detcheverry FA, Peters BL, Chappa VC, Schweizer KS, Müller M, De Pablo JJ. Dynamical simulations of coarse grain polymeric systems: Rouse and entangled dynamics Macromolecules. 46: 6287-6299. DOI: 10.1021/ma400526v  1
2013 Liu CC, Ramírez-Hernández A, Han E, Craig GSW, Tada Y, Yoshida H, Kang H, Ji S, Gopalan P, De Pablo JJ, Nealey PF. Chemical patterns for directed self-assembly of lamellae-forming block copolymers with density multiplication of features Macromolecules. 46: 1415-1424. DOI: 10.1021/ma302464n  1
2013 Martínez-Torrents A, Meca S, Baumann N, Martí V, Giménez J, De Pablo J, Casas I. Uranium speciation studies at alkaline pH and in the presence of hydrogen peroxide using time-resolved laser-induced fluorescence spectroscopy Polyhedron. 55: 92-101. DOI: 10.1016/j.poly.2013.02.075  0.44
2013 Serrano-Purroy D, Casas I, González-Robles E, Glatz JP, Wegen DH, Clarens F, Giménez J, De Pablo J, Martínez-Esparza A. Dynamic leaching studies of 48 MWd/kgU UO2 commercial spent nuclear fuel under oxic conditions Journal of Nuclear Materials. 434: 451-460. DOI: 10.1016/j.jnucmat.2011.03.020  0.44
2013 Oatley DL, Llenas L, Aljohani NHM, Williams PM, Martínez-Lladó X, Rovira M, de Pablo J. Investigation of the dielectric properties of nanofiltration membranes Desalination. 315: 100-106. DOI: 10.1016/j.desal.2012.09.013  0.44
2013 de Pablo J, Giancinti M, Uribe J. Trends in foreign trade competitiveness for fresh tomato Tomatoes: Cultivation, Varieties and Nutrition. 173-188.  0.44
2012 Singh S, Chiu CC, de Pablo JJ. Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics. Journal of Chemical Theory and Computation. 8: 4657-4662. PMID 26605621 DOI: 10.1021/ct3003755  1
2012 Azarin SM, Larson EA, Almodóvar-Cruz JM, de Pablo JJ, Palecek SP. Effects of 3D microwell culture on growth kinetics and metabolism of human embryonic stem cells. Biotechnology and Applied Biochemistry. 59: 88-96. PMID 23586789 DOI: 10.1002/bab.1003  1
2012 Woys AM, Almeida AM, Wang L, Chiu CC, McGovern M, de Pablo JJ, Skinner JL, Gellman SH, Zanni MT. Parallel β-sheet vibrational couplings revealed by 2D IR spectroscopy of an isotopically labeled macrocycle: quantitative benchmark for the interpretation of amyloid and protein infrared spectra. Journal of the American Chemical Society. 134: 19118-28. PMID 23113791 DOI: 10.1021/ja3074962  1
2012 Shekhar R, Whitmer JK, Malshe R, Moreno-Razo JA, Roberts TF, de Pablo JJ. Isotropic-nematic phase transition in the Lebwohl-Lasher model from density of states simulations. The Journal of Chemical Physics. 136: 234503. PMID 22779602 DOI: 10.1063/1.4722209  1
2012 Ji S, Nagpal U, Liu G, Delcambre SP, Müller M, de Pablo JJ, Nealey PF. Directed assembly of non-equilibrium ABA triblock copolymer morphologies on nanopatterned substrates. Acs Nano. 6: 5440-8. PMID 22559146 DOI: 10.1021/nn301306v  1
2012 Moreno-Razo JA, Sambriski EJ, Abbott NL, Hernández-Ortiz JP, de Pablo JJ. Liquid-crystal-mediated self-assembly at nanodroplet interfaces. Nature. 485: 86-9. PMID 22552096 DOI: 10.1038/nature11084  1
2012 Middleton CT, Marek P, Cao P, Chiu CC, Singh S, Woys AM, de Pablo JJ, Raleigh DP, Zanni MT. Two-dimensional infrared spectroscopy reveals the complex behaviour of an amyloid fibril inhibitor. Nature Chemistry. 4: 355-60. PMID 22522254 DOI: 10.1038/nchem.1293  1
2012 Singh S, Chopra M, de Pablo JJ. Density of states-based molecular simulations. Annual Review of Chemical and Biomolecular Engineering. 3: 369-94. PMID 22483263 DOI: 10.1146/annurev-chembioeng-062011-081032  1
2012 McGovern M, Abbott N, de Pablo JJ. Dimerization of helical β-peptides in solution. Biophysical Journal. 102: 1435-42. PMID 22455927 DOI: 10.1016/j.bpj.2011.12.060  1
2012 Tomar V, Roberts TF, Abbott NL, Hernández-Ortiz JP, de Pablo JJ. Liquid crystal mediated interactions between nanoparticles in a nematic phase. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 6124-31. PMID 22409589 DOI: 10.1021/la204119p  1
2012 Liu G, Ramírez-Hernández A, Yoshida H, Nygård K, Satapathy DK, Bunk O, de Pablo JJ, Nealey PF. Morphology of lamellae-forming block copolymer films between two orthogonal chemically nanopatterned striped surfaces. Physical Review Letters. 108: 065502. PMID 22401084 DOI: 10.1103/PhysRevLett.108.065502  1
2012 Zhang Y, de Pablo JJ, Graham MD. An immersed boundary method for Brownian dynamics simulation of polymers in complex geometries: application to DNA flowing through a nanoslit with embedded nanopits. The Journal of Chemical Physics. 136: 014901. PMID 22239799 DOI: 10.1063/1.3672103  1
2012 Azarin SM, Lian X, Larson EA, Popelka HM, de Pablo JJ, Palecek SP. Modulation of Wnt/β-catenin signaling in human embryonic stem cells using a 3-D microwell array. Biomaterials. 33: 2041-9. PMID 22177620 DOI: 10.1016/j.biomaterials.2011.11.070  1
2012 Giménez J, Casas I, Sureda R, De Pablo J. Kinetics of hydrogen peroxide consumption in aqueous phase at different hydrogen partial pressures Radiochimica Acta. 100: 445-448. DOI: 10.1524/ract.2012.1940  0.44
2012 Yoshimoto K, Peters BL, Khaira GS, De Pablo JJ. Scalable simulations for directed self-assembly patterning with the use of GPU parallel computing Proceedings of Spie - the International Society For Optical Engineering. 8323. DOI: 10.1117/12.917830  1
2012 Liu G, Ramírez-Hernández A, Yoshida H, Nygård K, Satapathy DK, Bunk O, De Pablo JJ, Nealey PF. Morphology of lamellae-forming block copolymer films between two orthogonal chemically nanopatterned striped surfaces Physical Review Letters. 108. DOI: 10.1103/PhysRevLett.108.065502  1
2012 Tomar V, Hernández SI, Abbott NL, Hernández-Ortiz JP, De Pablo JJ. Morphological transitions in liquid crystal nanodroplets Soft Matter. 8: 8679-8689. DOI: 10.1039/c2sm25383f  1
2012 Averett D, Cicerone MT, Douglas JF, De Pablo JJ. Fast relaxation and elasticity-related properties of trehalose-glycerol mixtures Soft Matter. 8: 4936-4945. DOI: 10.1039/c2sm25095k  1
2012 Karayiannis NC, Malshe R, Kröger M, De Pablo JJ, Laso M. Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings Soft Matter. 8: 844-858. DOI: 10.1039/c1sm06540h  1
2012 Hernández SI, Moreno-Razo JA, Ramírez-Hernández A, Díaz-Herrera E, Hernández-Ortiz JP, De Pablo JJ. Liquid crystal nanodroplets, and the balance between bulk and interfacial interactions Soft Matter. 8: 1443-1450. DOI: 10.1039/c1sm06425h  1
2012 Nagpal U, Müller M, Nealey PF, De Pablo JJ. Free energy of defects in ordered assemblies of block copolymer domains Acs Macro Letters. 1: 418-422. DOI: 10.1021/mz200245s  1
2012 Peters BL, Ramírez-Hernández A, Pike DQ, Müller M, De Pablo JJ. Nonequilibrium simulations of lamellae forming block copolymers under steady shear: A comparison of dissipative particle dynamics and Brownian dynamics Macromolecules. 45: 8109-8116. DOI: 10.1021/ma301541f  1
2012 Toepperwein GN, Schweizer KS, Riggleman RA, De Pablo JJ. Heterogeneous segmental dynamics during creep and constant strain rate deformations of rod-containing polymer nanocomposites Macromolecules. 45: 8467-8481. DOI: 10.1021/ma301501z  1
2012 Liu G, Detcheverry F, Ramírez-Hernández A, Yoshida H, Tada Y, De Pablo JJ, Nealey PF. Nonbulk complex structures in thin films of symmetric block copolymers on chemically nanopatterned surfaces Macromolecules. 45: 3986-3992. DOI: 10.1021/ma202777s  1
2012 Ramírez-Hernández A, Liu G, Nealey PF, De Pablo JJ. Symmetric diblock copolymers confined by two nanopatterned surfaces Macromolecules. 45: 2588-2596. DOI: 10.1021/ma2026594  1
2012 Toepperwein GN, Riggleman RA, De Pablo JJ. Dynamics and deformation response of rod-containing nanocomposites Macromolecules. 45: 543-554. DOI: 10.1021/ma2017277  1
2012 Serrano-Purroy D, Clarens F, González-Robles E, Glatz JP, Wegen DH, De Pablo J, Casas I, Giménez J, Martínez-Esparza A. Instant release fraction and matrix release of high burn-up UO 2 spent nuclear fuel: Effect of high burn-up structure and leaching solution composition Journal of Nuclear Materials. 427: 249-258. DOI: 10.1016/j.jnucmat.2012.04.036  0.44
2012 Meca S, Giménez J, Casas I, Martí V, de Pablo J. Uranium speciation in river sediments contaminated by phosphate ores Environmental Chemistry Letters. 10: 49-53. DOI: 10.1007/s10311-011-0327-1  0.44
2012 Cruz FJAL, Mota JPB, De Pablo JJ. Encapsulation mechanism of DNA nucleobases onto carbon nanotubes: Free energy landscapes Aiche Annual Meeting, Conference Proceedings 1
2011 Freeman GS, Hinckley DM, de Pablo JJ. A coarse-grain three-site-per-nucleotide model for DNA with explicit ions. The Journal of Chemical Physics. 135: 165104. PMID 22047269 DOI: 10.1063/1.3652956  1
2011 Pike DQ, Müller M, de Pablo JJ. Monte-Carlo simulation of ternary blends of block copolymers and homopolymers. The Journal of Chemical Physics. 135: 114904. PMID 21950884 DOI: 10.1063/1.3638175  1
2011 Wang L, Middleton CT, Singh S, Reddy AS, Woys AM, Strasfeld DB, Marek P, Raleigh DP, de Pablo JJ, Zanni MT, Skinner JL. 2DIR spectroscopy of human amylin fibrils reflects stable β-sheet structure. Journal of the American Chemical Society. 133: 16062-71. PMID 21916515 DOI: 10.1021/ja204035k  1
2011 Karayiannis NCh, Malshe R, de Pablo JJ, Laso M. Fivefold symmetry as an inhibitor to hard-sphere crystallization. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 83: 061505. PMID 21797370 DOI: 10.1103/PhysRevE.83.061505  1
2011 Ji S, Nagpal U, Liao W, Liu CC, de Pablo JJ, Nealey PF. Three-dimensional directed assembly of block copolymers together with two-dimensional square and rectangular nanolithography. Advanced Materials (Deerfield Beach, Fla.). 23: 3692-7. PMID 21735489 DOI: 10.1002/adma.201101813  1
2011 Nagpal U, Kang H, Craig GS, Nealey PF, de Pablo JJ. Pattern dimensions and feature shapes of ternary blends of block copolymer and low molecular weight homopolymers directed to assemble on chemically nanopatterned surfaces. Acs Nano. 5: 5673-82. PMID 21661763 DOI: 10.1021/nn201335v  1
2011 Singh S, de Pablo JJ. A molecular view of vapor deposited glasses. The Journal of Chemical Physics. 134: 194903. PMID 21599084 DOI: 10.1063/1.3586805  1
2011 Malshe R, Ediger MD, Yu L, de Pablo JJ. Evolution of glassy gratings with variable aspect ratios under surface diffusion. The Journal of Chemical Physics. 134: 194704. PMID 21599079 DOI: 10.1063/1.3573903  1
2011 Lin IH, Miller DS, Bertics PJ, Murphy CJ, de Pablo JJ, Abbott NL. Endotoxin-induced structural transformations in liquid crystalline droplets. Science (New York, N.Y.). 332: 1297-300. PMID 21596951 DOI: 10.1126/science.1195639  1
2011 Hernández-Ortiz JP, Gettelfinger BT, Moreno-Razo J, de Pablo JJ. Modeling flows of confined nematic liquid crystals. The Journal of Chemical Physics. 134: 134905. PMID 21476772 DOI: 10.1063/1.3567098  1
2011 Müller M, Steinmüller B, Daoulas KCh, Ramírez-Hernández A, de Pablo JJ. Polymer-solid contacts described by soft, coarse-grained models. Physical Chemistry Chemical Physics : Pccp. 13: 10491-502. PMID 21431143 DOI: 10.1039/c0cp02868a  0.8
2011 Izmitli A, Schebor C, McGovern MP, Reddy AS, Abbott NL, de Pablo JJ. Effect of trehalose on the interaction of Alzheimer's Aβ-peptide and anionic lipid monolayers. Biochimica Et Biophysica Acta. 1808: 26-33. PMID 20920466 DOI: 10.1016/j.bbamem.2010.09.024  1
2011 Jha PK, Zwanikken JW, De Pablo JJ, Olvera De La Cruz M. Electrostatic control of nanoscale phase behavior of polyelectrolyte networks Current Opinion in Solid State and Materials Science. 15: 271-276. DOI: 10.1016/j.cossms.2011.06.002  1
2011 Singh S, Chiu Cc, de Pablo JJ. Flux Tempered Metadynamics Journal of Statistical Physics. 145: 932-945. DOI: 10.1007/s10955-011-0301-0  1
2010 Stuen KO, Detcheverry FA, Craig GS, Thomas CS, Farrell RA, Morris MA, de Pablo JJ, Nealey PF. Graphoepitaxial assembly of asymmetric ternary blends of block copolymers and homopolymers. Nanotechnology. 21: 495301. PMID 21071827 DOI: 10.1088/0957-4484/21/49/495301  1
2010 Reddy AS, Wang L, Singh S, Ling YL, Buchanan L, Zanni MT, Skinner JL, de Pablo JJ. Stable and metastable states of human amylin in solution. Biophysical Journal. 99: 2208-16. PMID 20923655 DOI: 10.1016/j.bpj.2010.07.014  1
2010 Ramírez-Hernández A, Detcheverry FA, de Pablo JJ. Numerical simulation of Gaussian chains near hard surfaces. The Journal of Chemical Physics. 133: 064905. PMID 20707589 DOI: 10.1063/1.3457153  0.8
2010 Reddy AS, Chopra M, de Pablo JJ. GNNQQNY--investigation of early steps during amyloid formation. Biophysical Journal. 98: 1038-45. PMID 20303861 DOI: 10.1016/j.bpj.2009.10.057  1
2010 Detcheverry FA, Pike DQ, Nealey PF, Müller M, de Pablo JJ. Simulations of theoretically informed coarse grain models of polymeric systems. Faraday Discussions. 144: 111-25; discussion 2. PMID 20158025 DOI: 10.1039/b902283j  1
2010 Reddy AS, Wang L, Lin YS, Ling Y, Chopra M, Zanni MT, Skinner JL, De Pablo JJ. Solution structures of rat amylin peptide: simulation, theory, and experiment. Biophysical Journal. 98: 443-51. PMID 20141758 DOI: 10.1016/j.bpj.2009.10.029  1
2010 Woys AM, Lin YS, Reddy AS, Xiong W, de Pablo JJ, Skinner JL, Zanni MT. 2D IR line shapes probe ovispirin peptide conformation and depth in lipid bilayers. Journal of the American Chemical Society. 132: 2832-8. PMID 20136132 DOI: 10.1021/ja9101776  1
2010 Mohr JC, Zhang J, Azarin SM, Soerens AG, de Pablo JJ, Thomson JA, Lyons GE, Palecek SP, Kamp TJ. The microwell control of embryoid body size in order to regulate cardiac differentiation of human embryonic stem cells. Biomaterials. 31: 1885-93. PMID 19945747 DOI: 10.1016/j.biomaterials.2009.11.033  1
2010 Metallo CM, Ji L, de Pablo JJ, Palecek SP. Directed differentiation of human embryonic stem cells to epidermal progenitors. Methods in Molecular Biology (Clifton, N.J.). 585: 83-92. PMID 19907998 DOI: 10.1007/978-1-60761-380-0_7  1
2010 Metallo CM, Azarin SM, Moses LE, Ji L, de Pablo JJ, Palecek SP. Human embryonic stem cell-derived keratinocytes exhibit an epidermal transcription program and undergo epithelial morphogenesis in engineered tissue constructs. Tissue Engineering. Part A. 16: 213-23. PMID 19686061 DOI: 10.1089/ten.TEA.2009.0325  1
2009 Sambriski EJ, Ortiz V, de Pablo JJ. Sequence effects in the melting and renaturation of short DNA oligonucleotides: structure and mechanistic pathways. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 034105. PMID 21817250 DOI: 10.1088/0953-8984/21/3/034105  1
2009 Yin DW, Olvera De La Cruz M, De Pablo JJ. Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions Journal of Chemical Physics. 131. PMID 19929076 DOI: 10.1063/1.3264950  1
2009 Koenig GM, de Pablo JJ, Abbott NL. Characterization of the reversible interaction of pairs of nanoparticles dispersed in nematic liquid crystals. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 13318-21. PMID 19928936 DOI: 10.1021/la903464t  1
2009 Sambriski EJ, Schwartz DC, de Pablo JJ. Uncovering pathways in DNA oligonucleotide hybridization via transition state analysis. Proceedings of the National Academy of Sciences of the United States of America. 106: 18125-30. PMID 19815517 DOI: 10.1073/pnas.0904721106  1
2009 Reddy AS, Izmitli A, de Pablo JJ. Effect of trehalose on amyloid beta (29-40)-membrane interaction. The Journal of Chemical Physics. 131: 085101. PMID 19725634 DOI: 10.1063/1.3193726  1
2009 Pike DQ, Detcheverry FA, Müller M, de Pablo JJ. Theoretically informed coarse grain simulations of polymeric systems. The Journal of Chemical Physics. 131: 084903. PMID 19725633 DOI: 10.1063/1.3187936  1
2009 Gupta JK, Zimmerman JS, de Pablo JJ, Caruso F, Abbott NL. Characterization of adsorbate-induced ordering transitions of liquid crystals within monodisperse droplets. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 9016-24. PMID 19719217 DOI: 10.1021/la900786b  1
2009 Hernández-Ortiz JP, Chopra M, Geier S, de Pablo JJ. Hydrodynamic effects on the translocation rate of a polymer through a pore. The Journal of Chemical Physics. 131: 044904. PMID 19655916 DOI: 10.1063/1.3184798  1
2009 Jo K, Chen YL, de Pablo JJ, Schwartz DC. Elongation and migration of single DNA molecules in microchannels using oscillatory shear flows. Lab On a Chip. 9: 2348-55. PMID 19636466 DOI: 10.1039/b902292a  1
2009 Riggleman RA, Toepperwein G, Papakonstantopoulos GJ, Barrat JL, de Pablo JJ. Entanglement network in nanoparticle reinforced polymers. The Journal of Chemical Physics. 130: 244903. PMID 19566177 DOI: 10.1063/1.3148026  1
2009 Zhang Y, Donev A, Weisgraber T, Alder BJ, Graham MD, de Pablo JJ. Tethered DNA dynamics in shear flow. The Journal of Chemical Physics. 130: 234902. PMID 19548751 DOI: 10.1063/1.3149860  1
2009 Detcheverry FA, Pike DQ, Nealey PF, Müller M, de Pablo JJ. Monte carlo simulation of coarse grain polymeric systems. Physical Review Letters. 102: 197801. PMID 19518996 DOI: 10.1103/PhysRevLett.102.197801  1
2009 Miller CA, Gellman SH, Abbott NL, de Pablo JJ. Association of helical beta-peptides and their aggregation behavior from the potential of mean force in explicit solvent. Biophysical Journal. 96: 4349-62. PMID 19486660 DOI: 10.1016/j.bpj.2008.11.076  1
2009 Koenig GM, Ong R, Cortes AD, Moreno-Razo JA, de Pablo JJ, Abbott NL. Single nanoparticle tracking reveals influence of chemical functionality of nanoparticles on local ordering of liquid crystals and nanoparticle diffusion coefficients. Nano Letters. 9: 2794-801. PMID 19459705 DOI: 10.1021/nl901498d  1
2009 Miller CA, Abbott NL, de Pablo JJ. Surface activity of amphiphilic helical beta-peptides from molecular dynamics simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 2811-23. PMID 19437698 DOI: 10.1021/la802973e  1
2009 Yu H, Jo K, Kounovsky KL, de Pablo JJ, Schwartz DC. Molecular propulsion: chemical sensing and chemotaxis of DNA driven by RNA polymerase. Journal of the American Chemical Society. 131: 5722-3. PMID 19351109 DOI: 10.1021/ja900372m  0.64
2009 Sambriski EJ, Schwartz DC, de Pablo JJ. A mesoscale model of DNA and its renaturation. Biophysical Journal. 96: 1675-90. PMID 19254530 DOI: 10.1016/j.bpj.2008.09.061  1
2008 Lin IH, Koenig GM, de Pablo JJ, Abbott NL. Ordering of solid microparticles at liquid crystal-water interfaces. The Journal of Physical Chemistry. B. 112: 16552-8. PMID 19049270 DOI: 10.1021/jp807286s  1
2008 Yin DW, Horkay F, Douglas JF, de Pablo JJ. Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions. The Journal of Chemical Physics. 129: 154902. PMID 19045224 DOI: 10.1063/1.2991179  1
2008 Chopra M, Reddy AS, Abbott NL, de Pablo JJ. Folding of polyglutamine chains. The Journal of Chemical Physics. 129: 135102. PMID 19045125 DOI: 10.1063/1.2980043  1
2008 Ruiz R, Kang H, Detcheverry FA, Dobisz E, Kercher DS, Albrecht TR, de Pablo JJ, Nealey PF. Density multiplication and improved lithography by directed block copolymer assembly. Science (New York, N.Y.). 321: 936-9. PMID 18703735 DOI: 10.1126/science.1157626  1
2008 Mastny EA, Miller CA, de Pablo JJ. The effect of the water/methane interface on methane hydrate cages: the potential of mean force and cage lifetimes. The Journal of Chemical Physics. 129: 034701. PMID 18647032 DOI: 10.1063/1.2925680  1
2008 Miller CA, Hernández-Ortiz JP, Abbott NL, Gellman SH, de Pablo JJ. Dipole-induced self-assembly of helical beta-peptides. The Journal of Chemical Physics. 129: 015102. PMID 18624501 DOI: 10.1063/1.2928700  1
2008 Miller CA, Gellman SH, Abbott NL, de Pablo JJ. Mechanical stability of helical beta-peptides and a comparison of explicit and implicit solvent models. Biophysical Journal. 95: 3123-36. PMID 18621835 DOI: 10.1529/biophysj.108.134833  1
2008 Koenig GM, Gettelfinger BT, de Pablo JJ, Abbott NL. Using localized surface plasmon resonances to probe the nanoscopic origins of adsorbate-driven ordering transitions of liquid crystals in contact with chemically functionalized gold nanodots. Nano Letters. 8: 2362-8. PMID 18578554 DOI: 10.1021/nl801180c  1
2008 Riggleman RA, de Pablo JJ. Antiplasticization and local elastic constants in trehalose and glycerol mixtures. The Journal of Chemical Physics. 128: 224504. PMID 18554026 DOI: 10.1063/1.2925684  1
2008 Kang H, Detcheverry FA, Mangham AN, Stoykovich MP, Daoulas KCh, Hamers RJ, Müller M, de Pablo JJ, Nealey PF. Hierarchical assembly of nanoparticle superstructures from block copolymer-nanoparticle composites. Physical Review Letters. 100: 148303. PMID 18518077 DOI: 10.1103/PhysRevLett.100.148303  1
2008 Papakonstantopoulos GJ, Riggleman RA, Barrat JL, de Pablo JJ. Molecular plasticity of polymeric glasses in the elastic regime. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 041502. PMID 18517623 DOI: 10.1103/PhysRevE.77.041502  1
2008 Chopra M, Malshe R, Reddy AS, de Pablo JJ. Improved transition path sampling methods for simulation of rare events. The Journal of Chemical Physics. 128: 144104. PMID 18412420 DOI: 10.1063/1.2889943  1
2008 Knotts TA, Rathore N, de Pablo JJ. An entropic perspective of protein stability on surfaces. Biophysical Journal. 94: 4473-83. PMID 18326646 DOI: 10.1529/biophysj.107.123158  1
2008 Izmitli A, Schwartz DC, Graham MD, de Pablo JJ. The effect of hydrodynamic interactions on the dynamics of DNA translocation through pores. The Journal of Chemical Physics. 128: 085102. PMID 18315085 DOI: 10.1063/1.2831777  1
2008 Metallo CM, Vodyanik MA, de Pablo JJ, Slukvin II, Palecek SP. The response of human embryonic stem cell-derived endothelial cells to shear stress. Biotechnology and Bioengineering. 100: 830-7. PMID 18306423 DOI: 10.1002/bit.21809  1
2008 Saha S, Ji L, de Pablo JJ, Palecek SP. TGFbeta/Activin/Nodal pathway in inhibition of human embryonic stem cell differentiation by mechanical strain. Biophysical Journal. 94: 4123-33. PMID 18234825 DOI: 10.1529/biophysj.107.119891  1
2008 Metallo CM, Azarin SM, Ji L, de Pablo JJ, Palecek SP. Engineering tissue from human embryonic stem cells. Journal of Cellular and Molecular Medicine. 12: 709-29. PMID 18194458 DOI: 10.1111/j.1582-4934.2008.00228.x  1
2008 Daoulas KCh, Müller M, Stoykovich MP, Kang H, de Pablo JJ, Nealey PF. Directed copolymer assembly on chemical substrate patterns: a phenomenological and single-chain-in-mean-field simulations study of the influence of roughness in the substrate pattern. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 1284-95. PMID 18067336 DOI: 10.1021/la702482z  1
2008 Metallo CM, Ji L, de Pablo JJ, Palecek SP. Retinoic acid and bone morphogenetic protein signaling synergize to efficiently direct epithelial differentiation of human embryonic stem cells. Stem Cells (Dayton, Ohio). 26: 372-80. PMID 17962700 DOI: 10.1634/stemcells.2007-0501  1
2007 Stoykovich MP, Kang H, Daoulas KCh, Liu G, Liu CC, de Pablo JJ, Müller M, Nealey PF. Directed self-assembly of block copolymers for nanolithography: fabrication of isolated features and essential integrated circuit geometries. Acs Nano. 1: 168-75. PMID 19206647 DOI: 10.1021/nn700164p  1
2007 Riggleman RA, Lee HN, Ediger MD, de Pablo JJ. Free volume and finite-size effects in a polymer glass under stress. Physical Review Letters. 99: 215501. PMID 18233224 DOI: 10.1103/PhysRevLett.99.215501  1
2007 Hung FR, Gettelfinger BT, Koenig GM, Abbott NL, de Pablo JJ. Nanoparticles in nematic liquid crystals: interactions with nanochannels. The Journal of Chemical Physics. 127: 124702. PMID 17902926 DOI: 10.1063/1.2770724  1
2007 Mastny EA, de Pablo JJ. Melting line of the Lennard-Jones system, infinite size, and full potential. The Journal of Chemical Physics. 127: 104504. PMID 17867758 DOI: 10.1063/1.2753149  1
2007 Riggleman RA, Douglas JF, de Pablo JJ. Characterization of the potential energy landscape of an antiplasticized polymer. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 011504. PMID 17677447 DOI: 10.1103/PhysRevE.76.011504  1
2007 Riggleman RA, Douglas JF, de Pablo JJ. Tuning polymer melt fragility with antiplasticizer additives. The Journal of Chemical Physics. 126: 234903. PMID 17600442 DOI: 10.1063/1.2742382  1
2007 Hernández-Ortiz JP, de Pablo JJ, Graham MD. Fast computation of many-particle hydrodynamic and electrostatic interactions in a confined geometry. Physical Review Letters. 98: 140602. PMID 17501260 DOI: 10.1103/PhysRevLett.98.140602  1
2007 Papakonstantopoulos GJ, Doxastakis M, Nealey PF, Barrat JL, de Pablo JJ. Calculation of local mechanical properties of filled polymers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 031803. PMID 17500718 DOI: 10.1103/PhysRevE.75.031803  1
2007 Stoltz C, de Pablo JJ, Graham MD. Simulation of nonlinear shear rheology of dilute salt-free polyelectrolyte solutions. The Journal of Chemical Physics. 126: 124906. PMID 17411160 DOI: 10.1063/1.2712182  1
2007 Knotts TA, Rathore N, Schwartz DC, de Pablo JJ. A coarse grain model for DNA. The Journal of Chemical Physics. 126: 084901. PMID 17343470 DOI: 10.1063/1.2431804  1
2007 Jo K, Dhingra DM, Odijk T, de Pablo JJ, Graham MD, Runnheim R, Forrest D, Schwartz DC. A single-molecule barcoding system using nanoslits for DNA analysis. Proceedings of the National Academy of Sciences of the United States of America. 104: 2673-8. PMID 17296933 DOI: 10.1073/pnas.0611151104  1
2007 Metallo CM, Mohr JC, Detzel CJ, de Pablo JJ, Van Wie BJ, Palecek SP. Engineering the stem cell microenvironment. Biotechnology Progress. 23: 18-23. PMID 17269664 DOI: 10.1021/bp060350a  1
2007 Doxastakis M, Sakai VG, Ohtake S, Maranas JK, de Pablo JJ. A molecular view of melting in anhydrous phospholipidic membranes. Biophysical Journal. 92: 147-61. PMID 17159004 DOI: 10.1529/biophysj.106.089631  1
2006 Hernández-Ortiz JP, de Pablo JJ, Graham MD. N log N method for hydrodynamic interactions of confined polymer systems: Brownian dynamics. The Journal of Chemical Physics. 125: 164906. PMID 17092138 DOI: 10.1063/1.2358344  1
2006 Riggleman RA, Yoshimoto K, Douglas JF, de Pablo JJ. Influence of confinement on the fragility of antiplasticized and pure polymer films. Physical Review Letters. 97: 045502. PMID 16907588 DOI: 10.1103/PhysRevLett.97.045502  1
2006 Hung FR, Guzmán O, Gettelfinger BT, Abbott NL, de Pablo JJ. Anisotropic nanoparticles immersed in a nematic liquid crystal: defect structures and potentials of mean force. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 74: 011711. PMID 16907115 DOI: 10.1103/PhysRevE.74.011711  1
2006 Rathore N, Gellman SH, de Pablo JJ. Thermodynamic stability of beta-peptide helices and the role of cyclic residues. Biophysical Journal. 91: 3425-35. PMID 16905613 DOI: 10.1529/biophysj.106.084491  1
2006 Mohr JC, de Pablo JJ, Palecek SP. 3-D microwell culture of human embryonic stem cells. Biomaterials. 27: 6032-42. PMID 16884768 DOI: 10.1016/j.biomaterials.2006.07.012  1
2006 Khare R, Graham MD, de Pablo JJ. Cross-stream migration of flexible molecules in a nanochannel. Physical Review Letters. 96: 224505. PMID 16803314 DOI: 10.1103/PhysRevLett.96.224505  1
2006 Mohr JC, de Pablo JJ, Palecek SP. Electroporation of human embryonic stem cells: Small and macromolecule loading and DNA transfection. Biotechnology Progress. 22: 825-34. PMID 16739967 DOI: 10.1021/bp0600334  1
2006 Ji L, Allen-Hoffmann BL, de Pablo JJ, Palecek SP. Generation and differentiation of human embryonic stem cell-derived keratinocyte precursors. Tissue Engineering. 12: 665-79. PMID 16674282 DOI: 10.1089/ten.2006.12.665  1
2006 Clare BH, Guzman O, de Pablo JJ, Abbott NL. Measurement of the azimuthal anchoring energy of liquid crystals in contact with oligo(ethylene glycol)-terminated self-assembled monolayers supported on obliquely deposited gold films. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 4654-9. PMID 16649778 DOI: 10.1021/la0535126  1
2006 Chopra M, Müller M, de Pablo JJ. Order-parameter-based Monte Carlo simulation of crystallization. The Journal of Chemical Physics. 124: 134102. PMID 16613444 DOI: 10.1063/1.2178324  1
2006 Chopra M, de Pablo JJ. Improved density of states Monte Carlo method based on recycling of rejected states. The Journal of Chemical Physics. 124: 114102. PMID 16555869 DOI: 10.1063/1.2178319  1
2006 Daoulas KCh, Müller M, Stoykovich MP, Park SM, Papakonstantopoulos YJ, de Pablo JJ, Nealey PF, Solak HH. Fabrication of complex three-dimensional nanostructures from self-assembling block copolymer materials on two-dimensional chemically patterned templates with mismatched symmetry. Physical Review Letters. 96: 036104. PMID 16486737 DOI: 10.1103/PhysRevLett.96.036104  1
2006 Ohtake S, Schebor C, de Pablo JJ. Effects of trehalose on the phase behavior of DPPC-cholesterol unilamellar vesicles. Biochimica Et Biophysica Acta. 1758: 65-73. PMID 16473323 DOI: 10.1016/j.bbamem.2006.01.002  1
2006 Rathore N, Knotts TA, de Pablo JJ. Confinement effects on the thermodynamics of protein folding: Monte Carlo simulations. Biophysical Journal. 90: 1767-73. PMID 16361344 DOI: 10.1529/biophysj.105.071076  1
2006 Saha S, Ji L, de Pablo JJ, Palecek SP. Inhibition of human embryonic stem cell differentiation by mechanical strain. Journal of Cellular Physiology. 206: 126-37. PMID 15965964 DOI: 10.1002/jcp.20441  1
2005 Chen YL, Graham MD, de Pablo JJ, Jo K, Schwartz DC. DNA Molecules in Microfluidic Oscillatory Flow. Macromolecules. 38: 6680-6687. PMID 19057656 DOI: 10.1021/ma050238d  1
2005 Yin DW, Yan Q, de Pablo JJ. Molecular dynamics simulation of discontinuous volume phase transitions in highly-charged crosslinked polyelectrolyte networks with explicit counterions in good solvent. The Journal of Chemical Physics. 123: 174909. PMID 16375571 DOI: 10.1063/1.2102827  1
2005 Doxastakis M, Sum AK, de Pablo JJ. Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer. The Journal of Physical Chemistry. B. 109: 24173-81. PMID 16375409 DOI: 10.1021/jp054843u  1
2005 de Pablo L, Chávez ML, de Pablo JJ. Stability of Na-, K-, and Ca-montmorillonite at high temperatures and pressures: a Monte Carlo simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 10874-84. PMID 16262366 DOI: 10.1021/la051334a  0.36
2005 Papakonstantopoulos GJ, Yoshimoto K, Doxastakis M, Nealey PF, de Pablo JJ. Local mechanical properties of polymeric nanocomposites. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 031801. PMID 16241467 DOI: 10.1103/PhysRevE.72.031801  1
2005 Kim EB, Lockwood N, Chopra M, Guzmán O, Abbott NL, de Pablo JJ. Interactions of liquid crystal-forming molecules with phospholipid bilayers studied by molecular dynamics simulations. Biophysical Journal. 89: 3141-58. PMID 16113112 DOI: 10.1529/biophysj.105.065193  1
2005 Knotts TA, Rathore N, de Pablo JJ. Structure and stability of a model three-helix-bundle protein on tailored surfaces. Proteins. 61: 385-97. PMID 16106409 DOI: 10.1002/prot.20581  1
2005 Van Workum K, Yoshimoto K, de Pablo JJ, Douglas JF. Isothermal stress and elasticity tensors for ions and point dipoles using Ewald summations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 061102. PMID 16089717 DOI: 10.1103/PhysRevE.71.061102  1
2005 Doxastakis M, Chen YL, de Pablo JJ. Potential of mean force between two nanometer-scale particles in a polymer solution. The Journal of Chemical Physics. 123: 34901. PMID 16080757 DOI: 10.1063/1.1953575  0.92
2005 Lockwood NA, de Pablo JJ, Abbott NL. Influence of surfactant tail branching and organization on the orientation of liquid crystals at aqueous-liquid crystal interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 6805-14. PMID 16008390 DOI: 10.1021/la050231p  1
2005 Ohtake S, Schebor C, Palecek SP, de Pablo JJ. Phase behavior of freeze-dried phospholipid-cholesterol mixtures stabilized with trehalose. Biochimica Et Biophysica Acta. 1713: 57-64. PMID 15950174 DOI: 10.1016/j.bbamem.2005.05.001  1
2005 Nie Y, de Pablo JJ, Palecek SP. Platelet cryopreservation using a trehalose and phosphate formulation. Biotechnology and Bioengineering. 92: 79-90. PMID 15937943 DOI: 10.1002/bit.20577  1
2005 Stoykovich MP, Müller M, Kim SO, Solak HH, Edwards EW, de Pablo JJ, Nealey PF. Directed assembly of block copolymer blends into nonregular device-oriented structures. Science (New York, N.Y.). 308: 1442-6. PMID 15933196 DOI: 10.1126/science.1111041  1
2005 Guzmán O, Abbott NL, de Pablo JJ. Quenched disorder in a liquid-crystal biosensor: adsorbed nanoparticles at confining walls. The Journal of Chemical Physics. 122: 184711. PMID 15918751 DOI: 10.1063/1.1896354  1
2005 Jain TS, de Pablo JJ. Role of local structure on motions on the potential energy landscape for a model supercooled polymer. The Journal of Chemical Physics. 122: 174515. PMID 15910053 DOI: 10.1063/1.1888505  1
2005 Yoshimoto K, Jain TS, Nealey PF, de Pablo JJ. Local dynamic mechanical properties in model free-standing polymer thin films. The Journal of Chemical Physics. 122: 144712. PMID 15847558 DOI: 10.1063/1.1873732  1
2005 Mastny EA, de Pablo JJ. Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations. The Journal of Chemical Physics. 122: 124109. PMID 15836371 DOI: 10.1063/1.1874792  1
2005 Grollau S, Guzmán O, Abbott NL, de Pablo JJ. Slow dynamics of thin nematic films in the presence of adsorbed nanoparticles. The Journal of Chemical Physics. 122: 024703. PMID 15638610 DOI: 10.1063/1.1831253  1
2005 Rathore N, Chopra M, de Pablo JJ. Optimal allocation of replicas in parallel tempering simulations. The Journal of Chemical Physics. 122: 024111. PMID 15638576 DOI: 10.1063/1.1831273  1
2004 Chen YL, Graham MD, de Pablo JJ, Randall GC, Gupta M, Doyle PS. Conformation and dynamics of single DNA molecules in parallel-plate slit microchannels. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 060901. PMID 15697334 DOI: 10.1103/PhysRevE.70.060901  1
2004 Chávez Mde L, de Pablo L, de Pablo JJ. Monte Carlo molecular simulation of the hydration of K-montmorillonite at 353 K and 625 bar. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 10764-70. PMID 15544414 DOI: 10.1021/la049349g  0.36
2004 Yoshimoto K, Jain TS, Van Workum K, Nealey PF, de Pablo JJ. Mechanical heterogeneities in model polymer glasses at small length scales. Physical Review Letters. 93: 175501. PMID 15525087 DOI: 10.1103/PhysRevLett.93.175501  1
2004 Ohtake S, Schebor C, Palecek SP, de Pablo JJ. Effect of pH, counter ion, and phosphate concentration on the glass transition temperature of freeze-dried sugar-phosphate mixtures. Pharmaceutical Research. 21: 1615-21. PMID 15497687 DOI: 10.1023/B:PHAM.0000041456.19377.87  1
2004 Ji L, de Pablo JJ, Palecek SP. Cryopreservation of adherent human embryonic stem cells. Biotechnology and Bioengineering. 88: 299-312. PMID 15486934 DOI: 10.1002/bit.20243  1
2004 Dimalanta ET, Lim A, Runnheim R, Lamers C, Churas C, Forrest DK, de Pablo JJ, Graham MD, Coppersmith SN, Goldstein S, Schwartz DC. A microfluidic system for large DNA molecule arrays. Analytical Chemistry. 76: 5293-301. PMID 15362885 DOI: 10.1021/ac0496401  1
2004 Jendrejack RM, Schwartz DC, de Pablo JJ, Graham MD. Shear-induced migration in flowing polymer solutions: simulation of long-chain DNA in microchannels [corrected]. The Journal of Chemical Physics. 120: 2513-29. PMID 15268395 DOI: 10.1063/1.1637331  1
2004 Banaszak BJ, Faller R, De Pablo JJ. Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene. The Journal of Chemical Physics. 120: 11304-15. PMID 15268158 DOI: 10.1063/1.1751178  1
2004 de Pablo L, Chávez ML, Sum AK, de Pablo JJ. Monte Carlo molecular simulation of the hydration of Na-montmorillonite at reservoir conditions. The Journal of Chemical Physics. 120: 939-46. PMID 15267930 DOI: 10.1063/1.1631440  1
2004 Jain TS, de Pablo JJ. Influence of confinement on the vibrational density of states and the Boson peak in a polymer glass. The Journal of Chemical Physics. 120: 9371-5. PMID 15267875 DOI: 10.1063/1.1689952  1
2004 Doxastakis M, Chen YL, Guzmán O, de Pablo JJ. Polymer-particle mixtures: depletion and packing effects. The Journal of Chemical Physics. 120: 9335-42. PMID 15267871 DOI: 10.1063/1.1704634  0.92
2004 Rathore N, Yan Q, de Pablo JJ. Molecular simulation of the reversible mechanical unfolding of proteins. The Journal of Chemical Physics. 120: 5781-8. PMID 15267457 DOI: 10.1063/1.1649314  1
2004 Kim EB, Guzman O, Grollau S, Abbott NL, de Pablo JJ. Interactions between spherical colloids mediated by a liquid crystal: a molecular simulation and mesoscale study. The Journal of Chemical Physics. 121: 1949-61. PMID 15260747 DOI: 10.1063/1.1761054  1
2004 Yan Q, Jain TS, de Pablo JJ. Density-of-states Monte Carlo simulation of a binary glass. Physical Review Letters. 92: 235701. PMID 15245169 DOI: 10.1103/PhysRevLett.92.235701  1
2004 Kim EB, de Pablo JJ. Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: sphere size effects. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 061703. PMID 15244594 DOI: 10.1103/PhysRevE.69.061703  1
2004 Jain TS, de Pablo JJ. Investigation of transition States in bulk and freestanding film polymer glasses. Physical Review Letters. 92: 155505. PMID 15169297 DOI: 10.1103/PhysRevLett.92.155505  1
2004 Ohtake S, Schebor C, Palecek SP, de Pablo JJ. Effect of sugar-phosphate mixtures on the stability of DPPC membranes in dehydrated systems. Cryobiology. 48: 81-9. PMID 14969685 DOI: 10.1016/j.cryobiol.2004.01.001  1
2003 Guzmán O, Kim EB, Grollau S, Abbott NL, de Pablo JJ. Defect structure around two colloids in a liquid crystal. Physical Review Letters. 91: 235507. PMID 14683198 DOI: 10.1103/PhysRevLett.91.235507  1
2003 Rathore N, Knotts TA, de Pablo JJ. Configurational temperature density of states simulations of proteins. Biophysical Journal. 85: 3963-8. PMID 14645085 DOI: 10.1016/S0006-3495(03)74810-3  1
2003 Sum AK, de Pablo JJ. Molecular simulation study on the influence of dimethylsulfoxide on the structure of phospholipid bilayers. Biophysical Journal. 85: 3636-45. PMID 14645056 DOI: 10.1016/S0006-3495(03)74781-X  1
2003 Sum AK, Faller R, de Pablo JJ. Molecular simulation study of phospholipid bilayers and insights of the interactions with disaccharides. Biophysical Journal. 85: 2830-44. PMID 14581188  1
2003 Yan Q, de Pablo JJ. Monte Carlo simulation of a coarse-grained model of polyelectrolyte networks. Physical Review Letters. 91: 018301. PMID 12906581 DOI: 10.1103/PhysRevLett.91.018301  0.76
2003 Jendrejack RM, Dimalanta ET, Schwartz DC, Graham MD, de Pablo JJ. DNA dynamics in a microchannel. Physical Review Letters. 91: 038102. PMID 12906459  1
2003 Kim SO, Solak HH, Stoykovich MP, Ferrier NJ, De Pablo JJ, Nealey PF. Epitaxial self-assembly of block copolymers on lithographically defined nanopatterned substrates. Nature. 424: 411-4. PMID 12879065 DOI: 10.1038/nature01775  1
2003 Grollau S, Abbott NL, de Pablo JJ. Dynamic interaction between suspended particles and defects in a nematic liquid crystal. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 051703. PMID 12786160 DOI: 10.1103/PhysRevE.67.051703  0.52
2003 van Workum K, de Pablo JJ. Local elastic constants in thin films of an fcc crystal. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 031601. PMID 12689074 DOI: 10.1103/PhysRevE.67.031601  0.76
2003 Grollau S, Abbott NL, de Pablo JJ. Spherical particle immersed in a nematic liquid crystal: effects of confinement on the director field configurations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 011702. PMID 12636512 DOI: 10.1103/PhysRevE.67.011702  0.52
2003 Van Workum K, de Pablo JJ. Improved simulation method for the calculation of the elastic constants of crystalline and amorphous systems using strain fluctuations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 011505. PMID 12636504 DOI: 10.1103/PhysRevE.67.011505  0.76
2003 Yan Q, de Pablo JJ. Fast calculation of the density of states of a fluid by Monte Carlo simulations. Physical Review Letters. 90: 035701. PMID 12570508 DOI: 10.1103/PhysRevLett.90.035701  0.76
2002 Yan Q, de Pablo JJ. Phase equilibria of charge-, size-, and shape-asymmetric model electrolytes. Physical Review Letters. 88: 095504. PMID 11864025 DOI: 10.1103/PhysRevLett.88.095504  0.76
2001 Yan Q, de Pablo JJ. Phase equilibria of size-asymmetric primitive model electrolytes. Physical Review Letters. 86: 2054-7. PMID 11289853 DOI: 10.1103/PhysRevLett.86.2054  0.76
2000 Conrad PB, Miller DP, Cielenski PR, de Pablo JJ. Stabilization and preservation of Lactobacillus acidophilus in saccharide matrices. Cryobiology. 41: 17-24. PMID 11017757 DOI: 10.1006/cryo.2000.2260  1
1999 de Pablo JJ, Yan Q, Escobedo FA. Simulation of phase transitions in fluids. Annual Review of Physical Chemistry. 50: 377-411. PMID 15012417 DOI: 10.1146/annurev.physchem.50.1.377  0.76
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