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Carol K. Hall - Publications

Affiliations: 
North Carolina State University, Raleigh, NC 
Area:
Molecular Thermodynamics and Computer Simulation
Website:
http://www.che.ncsu.edu/people/faculty-pages/hall.html

162 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
2020 Reese HR, Xiao X, Shanahan CC, Van Den Driessche GA, Fourches D, Carbonell RG, Hall CK, Menegatti S. Novel peptide ligands for antibody purification provide superior clearance of host cell protein impurities. Journal of Chromatography. A. 1625: 461237. PMID 32709313 DOI: 10.1016/j.chroma.2020.461237  0.68
2020 Liao GJ, Hall CK, Klapp SHL. Correction: Dynamical self-assembly of dipolar active Brownian particles in two dimensions. Soft Matter. PMID 32617546 DOI: 10.1039/d0sm90129f  0.4
2020 Maloney RC, Hall CK. Clustering and phase separation in mixtures of dipolar and active particles in an external field. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32418424 DOI: 10.1021/acs.langmuir.0c00516  0.44
2020 Maloney RC, Liao GJ, Klapp SHL, Hall CK. Clustering and phase separation in mixtures of dipolar and active particles. Soft Matter. PMID 32239046 DOI: 10.1039/c9sm02311a  0.44
2020 Liao GJ, Hall CK, Klapp SHL. Dynamical self-assembly of dipolar active Brownian particles in two dimensions. Soft Matter. PMID 32090218 DOI: 10.1039/c9sm01539f  0.4
2020 Shao Q, Wong KM, Seroski DT, Wang Y, Liu R, Paravastu AK, Hudalla GA, Hall CK. Anatomy of a selectively coassembled β-sheet peptide nanofiber. Proceedings of the National Academy of Sciences of the United States of America. PMID 32071201 DOI: 10.1073/pnas.1912810117  1
2020 Wong KM, Wang Y, Seroski DT, Larkin GE, Mehta AK, Hudalla GA, Hall CK, Paravastu AK. Molecular complementarity and structural heterogeneity within co-assembled peptide β-sheet nanofibers. Nanoscale. PMID 32039428 DOI: 10.1039/c9nr08725g  1
2019 Xiao X, Kuang Z, Burke WJ, Chushak Y, Farmer BL, Mirau PA, Naik RR, Hall CK. Discovery and Validation of Neuropeptide Y Binding Peptides for Sensors. The Journal of Physical Chemistry. B. PMID 31841338 DOI: 10.1021/acs.jpcb.9b09439  0.68
2019 Bunce SJ, Wang Y, Stewart KL, Ashcroft AE, Radford SE, Hall CK, Wilson AJ. Molecular insights into the surface-catalyzed secondary nucleation of amyloid-β (Aβ) by the peptide fragment Aβ. Science Advances. 5: eaav8216. PMID 31245536 DOI: 10.1126/sciadv.aav8216  1
2019 Patterson-Orazem AC, Hill SE, Wang Y, Dominic IM, Hall CK, Lieberman RL. Differential misfolding properties of glaucoma-associated olfactomedin domains from human and mouse. Biochemistry. PMID 30802039 DOI: 10.1021/acs.biochem.8b01309  1
2019 Wang Y, Bunce SJ, Radford SE, Wilson AJ, Auer S, Hall CK. Thermodynamic phase diagram of amyloid-β (16-22) peptide. Proceedings of the National Academy of Sciences of the United States of America. PMID 30674664 DOI: 10.1073/pnas.1819592116  1
2018 Maloney RC, Hall CK. Phase diagrams of mixtures of dipolar rods and discs. Soft Matter. PMID 30230508 DOI: 10.1039/c8sm01225c  0.44
2018 Xiao X, Kuang Z, Slocik JM, Tadepalli S, Brothers M, Kim SS, Mirau PA, Butkus C, Farmer BL, Singamaneni S, Hall CK, Naik RR. Advancing Peptide-Based Biorecognition Elements for Biosensors Using In-Silico Evolution. Acs Sensors. PMID 29741092 DOI: 10.1021/acssensors.8b00159  0.68
2018 Wang Y, Gao Y, Hill SE, Huard DJE, Tomlin MO, Lieberman RL, Paravastu AK, Hall CK. Simulations and Experiments Delineate Amyloid Fibrilization by Peptides Derived from Glaucoma-Associated Myocilin. The Journal of Physical Chemistry. B. PMID 29724098 DOI: 10.1021/acs.jpcb.8b03000  1
2018 Wang Y, Hall CK. Seeding and Cross-seeding Fibrillation of N-terminal Prion Protein Peptides PrP(120-144). Protein Science : a Publication of the Protein Society. PMID 29637634 DOI: 10.1002/pro.3421  1
2017 Wang Y, Shao Q, Hall CK. N-terminal prion protein peptides (PrP(120-144)) form parallel in-register β-sheets via multiple nucleation-dependent pathways. The Journal of Biological Chemistry. 292: 20655. PMID 29247131 DOI: 10.1074/jbc.AAC117.000823  1
2017 Jiang S, Hall C. Preface to the Tribute to Keith E. Gubbins, Pioneer in the Theory of Liquids Special Issue. Langmuir : the Acs Journal of Surfaces and Colloids. 33: 11095-11101. PMID 29061054 DOI: 10.1021/acs.langmuir.7b03390  0.44
2017 Wang Y, Latshaw DC, Hall CK. Aggregation of Aβ(17-36) in the Presence of Naturally Occurring Phenolic Inhibitors Using Coarse-Grained Simulations. Journal of Molecular Biology. PMID 29031698 DOI: 10.1016/j.jmb.2017.10.006  1
2017 Xiao X, Wang Y, Leonard JN, Hall CK. Extended Concerted Rotation Technique Enhances the Sampling Efficiency of Computational Peptide-Design Algorithm. Journal of Chemical Theory and Computation. PMID 29023116 DOI: 10.1021/acs.jctc.7b00714  1
2017 Zhao B, Lindeboom T, Benner SW, Jackson G, Galindo A, Hall CK. Predicting the Fluid Phase Behaviour of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28789526 DOI: 10.1021/acs.langmuir.7b02249  0.76
2017 Rutkowski DM, Velev OD, Klapp SH, Hall CK. Simulation study on the structural properties of colloidal particles with offset dipoles. Soft Matter. PMID 28397900 DOI: 10.1039/c7sm00226b  0.6
2017 Zhao B, Cohen Stuart MA, Hall CK. Navigating in foldonia: Using accelerated molecular dynamics to explore stability, unfolding and self-healing of the β-solenoid structure formed by a silk-like polypeptide. Plos Computational Biology. 13: e1005446. PMID 28329017 DOI: 10.1371/journal.pcbi.1005446  0.64
2016 Shao Q, Hall CK. A Discontinuous Potential Model for Protein-Protein Interactions. Foundations of Molecular Modeling and Simulation : Select Papers From Fomms 2015. International Conference On Foundations of Molecular Modeling and Simulation (6th : 2015 : Mount Hood, or.). 2016: 1-20. PMID 28580454 DOI: 10.1007/978-981-10-1128-3_1  0.88
2016 Shao Q, Hall CK. Allosteric effects of gold nanoparticles on human serum albumin. Nanoscale. PMID 27924337 DOI: 10.1039/c6nr07665c  0.88
2016 Bharti B, Rutkowski D, Han K, Kumar AU, Hall CK, Velev OD. Capillary Bridging as a Tool for Assembling Discrete Clusters of Patchy Particles. Journal of the American Chemical Society. PMID 27775335 DOI: 10.1021/jacs.6b08017  0.6
2016 Xiao X, Zhao B, Agris PF, Hall CK. Simulation Study of the Ability of a Computationally-Designed Peptide to Recognize Target tRNA(Lys3) and Other Decoy tRNAs. Protein Science : a Publication of the Protein Society. PMID 27680513 DOI: 10.1002/pro.3056  0.68
2016 Wang Y, Shao Q, Hall CK. N-terminal Prion Protein Peptides (PrP120-144) Form Parallel In-register β-sheets via Multiple Nucleation-dependent Pathways. The Journal of Biological Chemistry. PMID 27576687 DOI: 10.1074/jbc.M116.744573  1
2016 Shao Q, Hall CK. Protein adsorption on nanoparticles: model development using computer simulation. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 414019. PMID 27546610 DOI: 10.1088/0953-8984/28/41/414019  1
2016 Bharti B, Kogler F, Hall CK, Klapp SH, Velev OD. Multidirectional colloidal assembly in concurrent electric and magnetic fields. Soft Matter. PMID 27537850 DOI: 10.1039/c6sm01475e  0.6
2016 Xiao X, Hung ME, Leonard JN, Hall CK. Adding energy minimization strategy to peptide-design algorithm enables better search for RNA-binding peptides: Redesigned λ N peptide binds boxB RNA. Journal of Computational Chemistry. PMID 27487990 DOI: 10.1002/jcc.24466  1
2016 Shao Q, Hall CK. Binding Preferences of Amino Acids for Gold Nanoparticles: a Molecular Simulation Study. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27420555 DOI: 10.1021/acs.langmuir.6b01693  1
2016 Benner SW, Hall CK. Development of a Coarse-Grained Model of Chitosan for Predicting Solution Behavior. The Journal of Physical Chemistry. B. PMID 27359219 DOI: 10.1021/acs.jpcb.6b03407  0.76
2016 Rutkowski DM, Velev OD, Klapp SH, Hall CK. The effect of charge separation on the phase behavior of dipolar colloidal rods. Soft Matter. PMID 27151445 DOI: 10.1039/c6sm00317f  0.6
2016 Zhao B, Cohen Stuart MA, Hall CK. Dock 'n roll: folding of a silk-inspired polypeptide into an amyloid-like beta solenoid. Soft Matter. PMID 26947809 DOI: 10.1039/c6sm00169f  0.64
2016 Xiao X, Agris PF, Hall CK. Introducing folding stability into the score function for computational design of RNA-binding peptides boosts the probability of success. Proteins. PMID 26914059 DOI: 10.1002/prot.25021  1
2015 Zhao B, Li NK, Yingling YG, Hall CK. LCST Behavior is Manifested in a Single Molecule: Elastin-like polypeptide (VPGVG)n. Biomacromolecules. PMID 26595324 DOI: 10.1021/acs.biomac.5b01235  1
2015 Xiao X, Agris PF, Hall CK. Designing Peptide Sequences in Flexible Chain Conformations to Bind RNA: A Search Algorithm Combining Monte Carlo, Self-Consistent Mean Field and Concerted Rotation Techniques. Journal of Chemical Theory and Computation. 11: 740-752. PMID 26579605 DOI: 10.1021/ct5008247  0.68
2015 Kogler F, Velev OD, Hall CK, Klapp SH. Generic model for tunable colloidal aggregation in multidirectional fields. Soft Matter. 11: 7356-66. PMID 26278680 DOI: 10.1039/c5sm01103e  1
2015 Curtis EM, Bahrami AH, Weikl TR, Hall CK. Modeling nanoparticle wrapping or translocation in bilayer membranes. Nanoscale. 7: 14505-14. PMID 26260123 DOI: 10.1039/c5nr02255j  1
2015 Latshaw DC, Hall CK. Effects of hydrophobic macromolecular crowders on amyloid β (16-22) aggregation. Biophysical Journal. 109: 124-34. PMID 26153709 DOI: 10.1016/j.bpj.2015.05.032  0.6
2015 Benner SW, John VT, Hall CK. Simulation Study of Hydrophobically Modified Chitosan as an Oil Dispersant Additive. The Journal of Physical Chemistry. B. 119: 6979-90. PMID 25973717 DOI: 10.1021/acs.jpcb.5b01092  0.76
2015 Cheon M, Hall CK, Chang I. Structural Conversion of Aβ17-42 Peptides from Disordered Oligomers to U-Shape Protofilaments via Multiple Kinetic Pathways. Plos Computational Biology. 11: e1004258. PMID 25955249 DOI: 10.1371/journal.pcbi.1004258  0.44
2015 Malik R, Genzer J, Hall CK. Proteinlike copolymers as encapsulating agents for small-molecule solutes. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 3518-26. PMID 25734374 DOI: 10.1021/acs.langmuir.5b00032  1
2015 Curtis EM, Xiao X, Sofou S, Hall CK. Phase separation behavior of mixed lipid systems at neutral and low pH: coarse-grained simulations with DMD/LIME. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 1086-94. PMID 25549801 DOI: 10.1021/la504082x  1
2015 Xiao X, Agris PF, Hall CK. Molecular recognition mechanism of peptide chain bound to the tRNA(Lys3) anticodon loop in silico. Journal of Biomolecular Structure & Dynamics. 33: 14-27. PMID 24417415 DOI: 10.1080/07391102.2013.869660  1
2015 Cheon M, Hall CK, Chang I. Structural Conversion of Aβ17–42 Peptides from Disordered Oligomers to U-Shape Protofilaments via Multiple Kinetic Pathways Plos Computational Biology. 11. DOI: 10.1371/journal.pcbi.1004258  1
2015 Xiao X, Agris PF, Hall CK. Designing peptide sequences in flexible chain conformations to bind RNA: A search algorithm combining Monte Carlo, self-consistent mean field and concerted rotation techniques Journal of Chemical Theory and Computation. 11: 740-752. DOI: 10.1021/ct5008247  1
2015 Benner SW, John VT, Hall CK. Simulation study of hydrophobically modified chitosan as an oil dispersant additive Journal of Physical Chemistry B. 119: 6979-6990. DOI: 10.1021/acs.jpcb.5b01092  1
2015 Latshaw DC, Hall CK. Effects of Hydrophobic Macromolecular Crowders on Amyloid β (16-22) Aggregation Biophysical Journal. 109: 124-134. DOI: 10.1016/j.bpj.2015.05.032  1
2014 Latshaw DC, Cheon M, Hall CK. Effects of macromolecular crowding on amyloid beta (16-22) aggregation using coarse-grained simulations. The Journal of Physical Chemistry. B. 118: 13513-26. PMID 25347801 DOI: 10.1021/jp508970q  1
2014 Li NK, García Quiroz F, Hall CK, Chilkoti A, Yingling YG. Molecular description of the LCST behavior of an elastin-like polypeptide. Biomacromolecules. 15: 3522-30. PMID 25142785 DOI: 10.1021/bm500658w  1
2014 Melle M, Schlotthauer S, Hall CK, Diaz-Herrera E, Schoen M. Disclination lines at homogeneous and heterogeneous colloids immersed in a chiral liquid crystal. Soft Matter. 10: 5489-502. PMID 24954626 DOI: 10.1039/c4sm00959b  1
2014 Bahrami AH, Raatz M, Agudo-Canalejo J, Michel R, Curtis EM, Hall CK, Gradzielski M, Lipowsky R, Weikl TR. Wrapping of nanoparticles by membranes. Advances in Colloid and Interface Science. 208: 214-24. PMID 24703299 DOI: 10.1016/j.cis.2014.02.012  1
2014 Spears JL, Xiao X, Hall CK, Agris PF. Amino acid signature enables proteins to recognize modified tRNA. Biochemistry. 53: 1125-33. PMID 24483944 DOI: 10.1021/bi401174h  1
2014 Wagoner VA, Cheon M, Chang I, Hall CK. Impact of sequence on the molecular assembly of short amyloid peptides. Proteins. 82: 1469-83. PMID 24449257 DOI: 10.1002/prot.24515  1
2014 Xiao X, Hall CK, Agris PF. The design of a peptide sequence to inhibit HIV replication: a search algorithm combining Monte Carlo and self-consistent mean field techniques. Journal of Biomolecular Structure & Dynamics. 32: 1523-36. PMID 24147736 DOI: 10.1080/07391102.2013.825757  1
2014 Higham AK, Garber LA, Latshaw DC, Hall CK, Pojman JA, Khan SA. Gelation and cross-linking in multifunctional thiol and multifunctional acrylate systems involving an in situ comonomer catalyst Macromolecules. 47: 821-829. DOI: 10.1021/ma402157f  1
2013 Melle M, Theile M, Hall CK, Schoen M. Nanoconfinement-induced structures in chiral liquid crystals. International Journal of Molecular Sciences. 14: 17584-607. PMID 23989605 DOI: 10.3390/ijms140917584  1
2013 Curtis EM, Hall CK. Molecular dynamics simulations of DPPC bilayers using "LIME", a new coarse-grained model. The Journal of Physical Chemistry. B. 117: 5019-30. PMID 23521567 DOI: 10.1021/jp309712b  1
2013 Schmidle H, Jäger S, Hall CK, Velev OD, Klapp SHL. Two-dimensional colloidal networks induced by a uni-axial external field Soft Matter. 9: 2518-2524. DOI: 10.1039/c2sm27210e  1
2013 Malik R, Hall CK, Genzer J. Effect of protein-like copolymers composition on the phase separation dynamics of a polymer blend: A Monte Carlo simulation Macromolecules. 46: 4207-4214. DOI: 10.1021/ma400187u  1
2012 Cheon M, Chang I, Hall CK. Influence of temperature on formation of perfect tau fragment fibrils using PRIME20/DMD simulations. Protein Science : a Publication of the Protein Society. 21: 1514-27. PMID 22887126 DOI: 10.1002/pro.2141  1
2012 Phelps EM, Hall CK. Structural transitions and oligomerization along polyalanine fibril formation pathways from computer simulations. Proteins. 80: 1582-97. PMID 22411226 DOI: 10.1002/prot.24052  1
2012 Wagoner VA, Cheon M, Chang I, Hall CK. Fibrillization propensity for short designed hexapeptides predicted by computer simulation. Journal of Molecular Biology. 416: 598-609. PMID 22227390 DOI: 10.1016/j.jmb.2011.12.038  1
2012 Schmidle H, Hall CK, Velev OD, Klapp SHL. Phase diagram of two-dimensional systems of dipole-like colloids Soft Matter. 8: 1521-1531. DOI: 10.1039/c1sm06576a  1
2012 Powers W, Ryu CY, Jhon YK, Strickland LA, Hall CK, Genzer J. Determining the polydispersity in chemical composition and monomer sequence distribution in random copolymers prepared by postpolymerization modification of homopolymers Acs Macro Letters. 1: 1128-1133. DOI: 10.1021/mz300386g  1
2011 Cheon M, Chang I, Hall CK. Spontaneous formation of twisted Aβ 16-22 Fibrils in Large-Scale Molecular-Dynamics Simulations Biophysical Journal. 101: 2493-2501. PMID 22098748 DOI: 10.1016/j.bpj.2011.08.042  1
2011 Woodhead JL, Hall CK. Encapsulation Efficiency and Micellar Structure of Solute-Carrying Block Copolymer Nanoparticles. Macromolecules. 44: 5443-5451. PMID 21918582 DOI: 10.1021/ma102938g  1
2011 Wagoner VA, Cheon M, Chang I, Hall CK. Computer simulation study of amyloid fibril formation by palindromic sequences in prion peptides Proteins: Structure, Function and Bioinformatics. 79: 2132-2145. PMID 21557317 DOI: 10.1002/prot.23034  1
2011 Malik R, Hall CK, Genzer J. Effect of copolymer compatibilizer sequence on the dynamics of phase separation of immiscible binary homopolymer blends Soft Matter. 7: 10620-10630. DOI: 10.1039/c1sm06292a  1
2011 Malik R, Hall CK, Genzer J. Phase separation dynamics for a polymer blend compatibilized by protein-like copolymers: A Monte Carlo simulation Macromolecules. 44: 8284-8293. DOI: 10.1021/ma2014832  1
2011 Woodhead JL, Hall CK. Encapsulation efficiency and micellar structure of solute-carrying block copolymer nanoparticles Macromolecules. 44: 5443-5451. DOI: 10.1021/ma102938g  1
2010 Woodhead JL, Hall CK. Simulation of micelle formation in the presence of solutes Langmuir. 26: 15135-15141. PMID 20825214 DOI: 10.1021/la1024444  1
2010 Cheon M, Chang I, Hall CK. Extending the PRIME model for protein aggregation to all 20 amino acids Proteins: Structure, Function and Bioinformatics. 78: 2950-2960. PMID 20740494 DOI: 10.1002/prot.22817  1
2010 Goyal A, Hall CK, Velev OD. Self-assembly in binary mixtures of dipolar colloids: molecular dynamics simulations. The Journal of Chemical Physics. 133: 064511. PMID 20707579 DOI: 10.1063/1.3477985  1
2010 Strickland LA, Hall CK, Genzer J. Controlling comonomer distribution in random copolymers by chemical coloring of surface-tethered homopolymers: an insight from discontinuous molecular dynamics simulation. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 8810-20. PMID 20131835 DOI: 10.1021/la9045513  0.76
2010 Goyal A, Hall CK, Velev OD. Bicontinuous gels formed by self-assembly of dipolar colloid particles Soft Matter. 6: 480-484. DOI: 10.1039/b907873h  1
2010 Anderson Strickland L, Hall CK, Genzer J. Simulation of mechanically-Assembled monolayers in poor solvent using discontinuous molecular dynamics Macromolecules. 43: 3072-3080. DOI: 10.1021/ma9026417  1
2010 Malik R, Hall CK, Genzer J. Protein-like copolymers (PLCs) as compatibilizers for homopolymer blends Macromolecules. 43: 5149-5157. DOI: 10.1021/ma100460y  1
2010 Strickland LA, Hall CK, Genzer J. Controlling comonomer distribution in random copolymers by chemical coloring of surface-tethered homopolymers: An insight from discontinuous molecular dynamics simulation Langmuir. 26: 8810-8820. DOI: 10.1021/la9045513  1
2009 Strickland LA, Hall CK, Genzer J. Design of copolymers with tunable randomness using discontinuous molecular dynamics simulation Macromolecules. 42: 9063-9071. DOI: 10.1021/ma901605v  1
2008 Goyal A, Hall CK, Velev OD. Phase diagram for stimulus-responsive materials containing dipolar colloidal particles. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 031401. PMID 18517375 DOI: 10.1103/PhysRevE.77.031401  1
2008 Strickland LA, Hall CK, Genzer J. Simulation of mechanically assembled monolayers and polymers in good solvent using discontinuous molecular dynamics Macromolecules. 41: 6573-6581. DOI: 10.1021/ma8003218  1
2008 Hall CK. Thermodynamic and kinetic origins of Alzheimer's and related diseases: A chemical engineer's perspective Aiche Journal. 54: 1956-1962. DOI: 10.1002/aic.11589  1
2008 Attwood BC, Hall CK. Solid-liquid phase behavior of ternary mixtures Aiche Journal. 54: 1886-1894. DOI: 10.1002/aic.11513  1
2008 Goyal A, Hall CK, Velev OD. Computer simulation of self-assembly of dipolar colloid particles for the design of stimuli-responsive materials Aiche Annual Meeting, Conference Proceedings 1
2008 Wagoner V, Hall CK. Computer simulation of beta-amyloid aggregation with an intermediate resolution model Aiche Annual Meeting, Conference Proceedings 1
2008 Woodhead J, Hall CK. Computer simulation of drug-containing nanoparticles for cancer therapy Aiche Annual Meeting, Conference Proceedings 1
2007 Jayaraman A, Hall CK, Genzer J. Computer simulation study of probe-target hybridization in model DNA microarrays: effect of probe surface density and target concentration. The Journal of Chemical Physics. 127: 144912. PMID 17935444 DOI: 10.1063/1.2787618  1
2007 Jayaraman A, Santiso EE, Hall CK, Genzer J. Theoretical study of kinetics of zipping phenomena in biomimetic polymers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 011915. PMID 17677502 DOI: 10.1103/PhysRevE.76.011915  1
2007 Marchut AJ, Hall CK. Effects of chain length on the aggregation of model polyglutamine peptides: molecular dynamics simulations. Proteins. 66: 96-109. PMID 17068817 DOI: 10.1002/prot.21132  1
2007 Schultz AJ, Hall CK, Genzer J. Obtaining concentration profiles from computer simulation structure factors Macromolecules. 40: 2629-2632. DOI: 10.1021/ma062836d  1
2007 Galbraith AL, Hall CK. Solid-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules Fluid Phase Equilibria. 262: 1-13. DOI: 10.1016/j.fluid.2007.07.064  1
2006 Hall CK, Wagoner VA. Computational approaches to fibril structure and formation. Methods in Enzymology. 412: 338-65. PMID 17046667 DOI: 10.1016/S0076-6879(06)12020-0  1
2006 Jayaraman A, Hall CK, Genzer J. Computer simulation study of molecular recognition in model DNA microarrays. Biophysical Journal. 91: 2227-36. PMID 16940474 DOI: 10.1529/biophysj.106.086173  1
2006 Marchut AJ, Hall CK. Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides. Computational Biology and Chemistry. 30: 215-8. PMID 16678490 DOI: 10.1016/j.compbiolchem.2006.01.003  1
2006 Marchut AJ, Hall CK. Side-chain interactions determine amyloid formation by model polyglutamine peptides in molecular dynamics simulations. Biophysical Journal. 90: 4574-84. PMID 16565057 DOI: 10.1529/biophysj.105.079269  1
2006 Marchut AJ, Smith AV, Hall CK. Commentary on: "Assembly of a tetrameric alpha-helical bundle: computer simulations on an intermediate-resolution protein model" [Proteins 2001;44:376-391]. Proteins. 63: 709-10. PMID 16475193 DOI: 10.1002/prot.20896  1
2006 Nguyen HD, Hall CK. Spontaneous fibril formation by polyalanines; discontinuous molecular dynamics simulations. Journal of the American Chemical Society. 128: 1890-901. PMID 16464090 DOI: 10.1021/ja0539140  1
2006 Galbraith AL, Hall CK. Vapor-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules Fluid Phase Equilibria. 241: 175-185. DOI: 10.1016/j.fluid.2005.12.026  1
2006 Hall CK, Nguyen HD, Marchut AJ, Wagoner V. Simulations of protein aggregation: A review Misbehaving Proteins: Protein (Mis)Folding, Aggregation, and Stability. 47-77. DOI: 10.1007/978-0-387-36063-8_3  1
2005 Jayaraman A, Hall CK, Genzer J. Computer simulation study of pattern transfer in AB diblock copolymer film adsorbed on a heterogeneous surface. The Journal of Chemical Physics. 123: 124702. PMID 16392506 DOI: 10.1063/1.2043048  1
2005 Striolo A, Jayaraman A, Genzer J, Hall CK. Adsorption of comb copolymers on weakly attractive solid surfaces. The Journal of Chemical Physics. 123: 64710. PMID 16122338 DOI: 10.1063/1.1993557  1
2005 Li Z, Hall CK. Parametric studies of interaction strengths in polymer/CO2 systems: discontinuous molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 7579-87. PMID 16042497 DOI: 10.1021/la0500023  1
2005 McCormick JA, Hall CK, Khan SA. The dynamics of single chains within a model polymer melt. The Journal of Chemical Physics. 122: 114902. PMID 15836252 DOI: 10.1063/1.1863852  1
2005 Jayaraman A, Hall CK, Genzer J. Designing pattern-recognition surfaces for selective adsorption of copolymer sequences using lattice monte carlo simulation. Physical Review Letters. 94: 078103. PMID 15783859 DOI: 10.1103/PhysRevLett.94.078103  1
2005 Nguyen HD, Hall CK. Kinetics of fibril formation by polyalanine peptides. The Journal of Biological Chemistry. 280: 9074-82. PMID 15591317 DOI: 10.1074/jbc.M407338200  1
2005 Schultz AJ, Hall CK, Genzer J. Computer simulation of block copolymer/nanoparticle composites Macromolecules. 38: 3007-3016. DOI: 10.1021/ma0496910  1
2005 Jayaraman A, Hall CK, Genzer J. Molecular recognition in model DNA microarrays: A computer simulation study Aiche Annual Meeting, Conference Proceedings. 169.  1
2005 Marchut AJ, Hall CK. Simulation of polyglutamine aggregation with an intermediate resolution protein model Aiche Annual Meeting, Conference Proceedings. 8170.  1
2005 Jayaraman A, Hall CK, Genzer J. Computer simulation studies of pattern recognition in biomimetic polymers Aiche Annual Meeting, Conference Proceedings. 3376.  1
2005 Wagoner V, Hall CK. Computer simulation of fibril forming peptides Aiche Annual Meeting, Conference Proceedings. 1597.  1
2004 Nguyen HD, Hall CK. Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides. Proceedings of the National Academy of Sciences of the United States of America. 101: 16180-5. PMID 15534217 DOI: 10.1073/pnas.0407273101  1
2004 Nguyen HD, Marchut AJ, Hall CK. Solvent effects on the conformational transition of a model polyalanine peptide. Protein Science : a Publication of the Protein Society. 13: 2909-24. PMID 15498937 DOI: 10.1110/ps.04701304  1
2004 Nguyen HD, Hall CK. Phase diagrams describing fibrillization by polyalanine peptides. Biophysical Journal. 87: 4122-34. PMID 15465859 DOI: 10.1529/biophysj.104.047159  1
2004 Li Z, Hall CK. Phase behavior in model homopolymer/CO2 and surfactant/CO2 systems: discontinuous molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 8559-68. PMID 15379475 DOI: 10.1021/la049267s  1
2004 Schultz AJ, Hall CK, Genzer J. Box length search algorithm for molecular simulation of systems containing periodic structures. The Journal of Chemical Physics. 120: 2049-55. PMID 15268341 DOI: 10.1063/1.1636156  1
2004 Jang H, Hall CK, Zhou Y. Assembly and kinetic folding pathways of a tetrameric beta-sheet complex: molecular dynamics simulations on simplified off-lattice protein models. Biophysical Journal. 86: 31-49. PMID 14695247 DOI: 10.1016/S0006-3495(04)74081-3  1
2004 Jang H, Hall CK, Zhou Y. Thermodynamics and stability of a beta-sheet complex: molecular dynamics simulations on simplified off-lattice protein models. Protein Science : a Publication of the Protein Society. 13: 40-53. PMID 14691220 DOI: 10.1110/ps.03162804  1
2004 Van't Hof A, De Leeuw SW, Hall CK, Peters CJ. Molecular simulation of binary vapour-liquid equilibria with components differing largely in volatility Molecular Physics. 102: 301-317. DOI: 10.1080/00268970410001668462  1
2004 Scanu LF, Gubbins KE, Hall CK. Lattice Monte Carlo Simulations of Phase Separation and Micellization in Supercritical CO 2Surfactant Systems: Effect of CO 2 Density Langmuir. 20: 514-523. DOI: 10.1021/la0347760  1
2004 Attwood BC, Hall CK. Effect of the solid phase on the global phase behavior of Lennard-Jones mixtures Aiche Journal. 50: 1948-1960. DOI: 10.1002/aic.10157  1
2004 Lamm MH, Hall CK. Effect of Pressure on the Complete Phase Behavior of Binary Mixtures Aiche Journal. 50: 215-225. DOI: 10.1002/aic.10020  1
2003 Jang H, Grimson MJ, Hall CK. Exchange anisotropy and the dynamic phase transition in thin ferromagnetic Heisenberg films. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 046115. PMID 14683010 DOI: 10.1103/PhysRevE.68.046115  1
2003 Wilder EA, Hall CK, Spontak RJ. Physical organogels composed of amphiphilic block copolymers and 1,3:2,4-dibenzylidene-D-sorbitol. Journal of Colloid and Interface Science. 267: 509-18. PMID 14583229 DOI: 10.1016/S0021-9797(03)00619-2  1
2003 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Formation of spherical micelles in a supercritical solvent: Lattice Monte Carlo simulation and multicomponent solution model Molecular Simulation. 29: 139-157. DOI: 10.1080/0892702031000065809  1
2003 Wilder EA, Spontak RJ, Hall CK. The molecular structure and intermolecular interactions of 1,3:2,4-dibenzylidene-D-sorbitol Molecular Physics. 101: 3017-3027. DOI: 10.1080/00268970310001597327  1
2003 Wilder EA, Hall CK, Khan SA, Spontak RJ. Effects of composition and matrix polarity on network development in organogels of poly(ethylene glycol) and dibenzylidene sorbitol Langmuir. 19: 6004-6013. DOI: 10.1021/la027081s  1
2003 Attwood BC, Hall CK. Global phase diagram for monomer/dimer mixtures Fluid Phase Equilibria. 204: 85-106. DOI: 10.1016/S0378-3812(02)00251-0  1
2003 Wilder EA, Braunfeld MB, Jinnai H, Hall CK, Agard DA, Spontak RJ. Nanofibrillar networks in poly(ethyl methacrylate) and its silica nanocomposites Journal of Physical Chemistry B. 107: 11633-11642.  1
2003 Jang H, Grimson MJ, Hall CK. Dynamic phase transitions in thin ferromagnetic films Physical Review B - Condensed Matter and Materials Physics. 67: 944111-9441111.  1
2002 Nguyen HD, Hall CK. Effect of rate of chemical or thermal renaturation on refolding and aggregation of a simple lattice protein. Biotechnology and Bioengineering. 80: 823-34. PMID 12402328 DOI: 10.1002/bit.10448  1
2002 Jang H, Hall CK, Zhou Y. Protein folding pathways and kinetics: molecular dynamics simulations of beta-strand motifs. Biophysical Journal. 83: 819-35. PMID 12124267 DOI: 10.1016/S0006-3495(02)75211-9  1
2002 Jang H, Hall CK, Zhou Y. Folding thermodynamics of model four-strand antiparallel beta-sheet proteins. Biophysical Journal. 82: 646-59. PMID 11806908 DOI: 10.1016/S0006-3495(02)75428-3  1
2002 Schultz AJ, Hall CK, Genzer J. Computer simulation of copolymer phase behavior Journal of Chemical Physics. 117: 10329-10338. DOI: 10.1063/1.1519839  1
2002 McCormick JA, Hall CK, Khan SA. The effect of position along the chain on the dynamic properties of hard chain segments Journal of Chemical Physics. 117: 944-957. DOI: 10.1063/1.1483295  1
2002 McCormick JA, Hall CK, Khan SA. Entanglement relaxation and release in hard chain fluids during molecular dynamics simulations Macromolecules. 35: 6005-6019. DOI: 10.1021/ma011134f  1
2002 Colina CM, Hall CK, Gubbins KE. Phase behavior of PVAC-PTAN block copolymer in supercritical carbon dioxide using SAFT Fluid Phase Equilibria. 194: 553-565. DOI: 10.1016/S0378-3812(01)00789-0  1
2002 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Micellar behavior in supercritical solvent-surfactant systems from lattice Monte Carlo simulations Fluid Phase Equilibria. 194: 233-247. DOI: 10.1016/S0378-3812(01)00721-X  1
2002 Lamm MH, Hall CK. Equilibria between solid, liquid, and vapor phases in binary Lennard-Jones mixtures Fluid Phase Equilibria. 194: 197-206. DOI: 10.1016/S0378-3812(01)00650-1  1
2001 Smith AV, Hall CK. Protein refolding versus aggregation: computer simulations on an intermediate-resolution protein model. Journal of Molecular Biology. 312: 187-202. PMID 11545596 DOI: 10.1006/jmbi.2001.4845  0.6
2001 Smith AV, Hall CK. Assembly of a tetrameric alpha-helical bundle: computer simulations on an intermediate-resolution protein model. Proteins. 44: 376-91. PMID 11455611 DOI: 10.1002/prot.1103  0.6
2001 Lamm MH, Hall CK. Monte Carlo simulations of complete phase diagrams for binary Lennard-Jones mixtures Fluid Phase Equilibria. 182: 37-46. DOI: 10.1016/S0378-3812(01)00378-8  1
2001 Sunderrajan S, Freeman BD, Hall CK, Pinnau I. Propane and propylene sorption in solid polymer electrolytes based on poly(ethylene oxide) and silver salts Journal of Membrane Science. 182: 1-12. DOI: 10.1016/S0376-7388(00)00569-X  1
2001 Lamm MH, Hall CK. Molecular simulation of complete phase diagrams for binary mixtures Aiche Journal. 47: 1664-1675. DOI: 10.1002/aic.690470718  1
1999 Zhou Y, Hall CK, Karplus M. The calorimetric criterion for a two-state process revisited. Protein Science : a Publication of the Protein Society. 8: 1064-74. PMID 10338017 DOI: 10.1110/ps.8.5.1064  1
1999 Driscoll DC, Gulati HS, Spontak RJ, Hall CK. Grafted polymer tail/loop mixtures differing in chain length Polymer. 40: 5207-5211. DOI: 10.1016/S0032-3861(98)00804-0  1
1997 Zhou Y, Karplus M, Wichert JM, Hall CK. Equilibrium thermodynamics of homopolymers and clusters: Molecular dynamics and Monte Carlo simulations of systems with square-well interactions The Journal of Chemical Physics. 107: 10691-10708. DOI: 10.1063/1.474186  1
1997 Smith SW, Hall CK, Freeman BD. Molecular dynamics for polymeric fluids using discontinuous potentials Journal of Computational Physics. 134: 16-30. DOI: 10.1006/jcph.1996.5510  1
1996 Zhou Y, Hall CK, Karplus M. First-Order Disorder-to-Order Transition in an Isolated Homopolymer Model. Physical Review Letters. 77: 2822-2825. PMID 10062054 DOI: 10.1103/PhysRevLett.77.2822  1
1996 Smith SW, Hall CK, Freeman BD. Smith, Hall, and Freeman Reply. Physical Review Letters. 76: 4449. PMID 10061293 DOI: 10.1103/PhysRevLett.76.4449  0.4
1996 Smith SW, Hall CK, Freeman BD, Rautenbach R. Corrections for analytical gas-permeation models for separation of binary gas mixtures using membrane modules Journal of Membrane Science. 118: 289-294. DOI: 10.1016/0376-7388(96)00128-7  1
1995 Smith SW, Hall CK, Freeman BD. Large-scale molecular dynamics study of entangled hard-chain fluids. Physical Review Letters. 75: 1316-1319. PMID 10060262 DOI: 10.1103/PhysRevLett.75.1316  1
1995 Zhou Y, Hall CK, Stell G. Exact results for isolated sticky chains Molecular Physics. 86: 1485-1492. DOI: 10.1080/00268979500102871  1
1990 Carson CL, Bernholc J, Faux D, Hall CK. Efficient techniques for computer simulations of heteroepitaxial growth Applied Physics Letters. 56: 1971-1973. DOI: 10.1063/1.103014  1
1987 MacGillivray IR, Soteros CE, Hall CK. Cluster-variation calculation for random-field systems: Application to hydrogen in niobium alloys. Physical Review. B, Condensed Matter. 35: 3545-3554. PMID 9941858  0.01
1986 Shirley AI, Hall CK. Elastic interactions between hydrogen atoms in metals. I. Lattice forces and displacements. Physical Review. B, Condensed Matter. 33: 8084-8098. PMID 9938200  0.01
1986 Gast AP, Russel WB, Hall CK. An experimental and theoretical study of phase transitions in the polystyrene latex and hydroxyethylcellulose system Journal of Colloid and Interface Science. 109: 161-171. DOI: 10.1016/0021-9797(86)90291-2  1
1986 Sundaresan S, Hall CK. Mathematical modelling of diffusion and reaction in blocked zeolite catalysts Chemical Engineering Science. 41: 1631-1645. DOI: 10.1016/0009-2509(86)85242-3  1
1983 Gast AP, Hall CK, Russel WB. Phase separations induced in aqueous colloidal suspensions by dissolved polymer Faraday Discussions of the Chemical Society. 76: 189-201. DOI: 10.1039/DC9837600189  1
1983 Gast AP, Hall CK, Russel WB. Polymer-induced phase separations in nonaqueous colloidal suspensions Journal of Colloid and Interface Science. 96: 251-267. DOI: 10.1016/0021-9797(83)90027-9  1
1974 Bartis JT, Hall CK. A lattice model of gas-gas equilibria in binary mixtures Physica. 78: 1-21. DOI: 10.1016/0031-8914(74)90305-X  1
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