Arun Yethiraj - Publications

Affiliations: 
Chemistry University of Wisconsin, Madison, Madison, WI 
Area:
theoretical chemistry
Website:
http://www.chem.wisc.edu/users/yethiraj

191 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 Cho HW, Yethiraj A, Sung BJ. Non-universality of the dynamic exponent in two-dimensional random media. Scientific Reports. 9: 251. PMID 30670711 DOI: 10.1038/s41598-018-36236-z  1
2018 Jackson GL, Mantha S, Kim SA, Diallo SO, Herwig KW, Yethiraj A, Mahanthappa MK. Ion-specific Confined Water Dynamics in Convex Nanopores of Gemini Surfactant Lyotropic Liquid Crystals. The Journal of Physical Chemistry. B. PMID 30251848 DOI: 10.1021/acs.jpcb.8b05942  0.8
2018 Jung H, Yethiraj A. A simulation method for the phase diagram of complex fluid mixtures. The Journal of Chemical Physics. 148: 244903. PMID 29960369 DOI: 10.1063/1.5033958  1
2018 Mantha S, Jackson GL, Mahanthappa MK, Yethiraj A. Counterion-Regulated Dynamics of Water Confined in Lyotropic Liquid Crystalline Morphologies. The Journal of Physical Chemistry. B. PMID 29397720 DOI: 10.1021/acs.jpcb.7b12034  0.8
2017 Jeong KJ, Yethiraj A. The Driving Force for the Association of Gemini Surfactants. The Journal of Physical Chemistry. B. PMID 29095616 DOI: 10.1021/acs.jpcb.7b08936  0.8
2017 Son CY, Yethiraj A, Cui Q. Cavity hydration dynamics in cytochrome c oxidase and functional implications. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973914 DOI: 10.1073/pnas.1707922114  0.6
2017 Kim SA, Jeong KJ, Yethiraj A, Mahanthappa MK. Low-symmetry sphere packings of simple surfactant micelles induced by ionic sphericity. Proceedings of the National Academy of Sciences of the United States of America. PMID 28373539 DOI: 10.1073/pnas.1701608114  0.8
2016 Mantha S, McDaniel JG, Perroni DV, Mahanthappa MK, Yethiraj A. Electrostatic Interactions Govern "Odd-Even" Effects in Water-Induced Gemini Surfactant Self-Assembly. The Journal of Physical Chemistry. B. PMID 28026942 DOI: 10.1021/acs.jpcb.6b06882  0.8
2016 McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Ab Initio Force Fields for Imidazolium-Based Ionic Liquids. The Journal of Physical Chemistry. B. PMID 27352240 DOI: 10.1021/acs.jpcb.6b05328  1
2016 Zhang L, Rajendram M, Weibel DB, Yethiraj A, Cui Q. Ionic Hydrogen Bonds and Lipid Packing Defects Determine the Binding Orientation and Insertion Depth of RecA on Multi-component Lipid Bilayers. The Journal of Physical Chemistry. B. PMID 27095675 DOI: 10.1021/acs.jpcb.6b02164  0.6
2016 McDaniel JG, Yethiraj A. Comment on "Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions" [J. Chem. Phys. 141, 064905 (2014)]. The Journal of Chemical Physics. 144: 137101. PMID 27059590 DOI: 10.1063/1.4944978  1
2016 Bai H, Xue R, Bao H, Zhang L, Yethiraj A, Cui Q, Chapman ER. Different states of synaptotagmin regulate evoked versus spontaneous release. Nature Communications. 7: 10971. PMID 27001899 DOI: 10.1038/ncomms10971  1
2016 McDaniel JG, Yethiraj A. Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals. The Journal of Chemical Physics. 144: 094705. PMID 26957174 DOI: 10.1063/1.4943131  1
2016 Son CY, McDaniel JG, Schmidt JR, Cui Q, Yethiraj A. First Principles United Atom Force Field for the Ionic Liquid [BMIM][BF4] : An Alternative to Charge Scaling. The Journal of Physical Chemistry. B. PMID 26900644 DOI: 10.1021/acs.jpcb.5b12371  1
2016 Roy S, Skoff D, Perroni DV, Mondal J, Yethiraj A, Mahanthappa M, Zanni M, Skinner JL. Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants. Journal of the American Chemical Society. PMID 26875689 DOI: 10.1021/jacs.5b12370  1
2016 Oh Y, Kim J, Yethiraj A, Sung BJ. Swing motion as a diffusion mechanism of lipid bilayers in a gel phase. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 93: 012409. PMID 26871103 DOI: 10.1103/PhysRevE.93.012409  1
2016 Barhoum S, Palit S, Yethiraj A. Diffusion NMR studies of macromolecular complex formation, crowding and confinement in soft materials Progress in Nuclear Magnetic Resonance Spectroscopy. 94: 1-10. DOI: 10.1016/j.pnmrs.2016.01.004  0.32
2015 McDaniel JG, Choi E, Son CY, Schmidt JR, Yethiraj A. Conformational and Dynamic Properties of Polyethylene Oxide in an Ionic Liquid: Development and Implementation of a First Principles Force Field. The Journal of Physical Chemistry. B. PMID 26690901 DOI: 10.1021/acs.jpcb.5b10065  1
2015 Rajendram M, Zhang L, Reynolds BJ, Auer GK, Tuson HH, Ngo KV, Cox MM, Yethiraj A, Cui Q, Weibel DB. Anionic Phospholipids Stabilize RecA Filament Bundles in Escherichia coli. Molecular Cell. 60: 374-84. PMID 26481664 DOI: 10.1016/j.molcel.2015.09.009  0.6
2015 Mantha S, Yethiraj A. Conformational Properties of Sodium Polystyrenesulfonate in Water: Insights from a Coarse-Grained Model with Explicit Solvent. The Journal of Physical Chemistry. B. PMID 26047770 DOI: 10.1021/acs.jpcb.5b01700  1
2015 Mohanty PS, Bagheri P, Nöjd S, Yethiraj A, Schurtenberger P. Multiple path-dependent routes for phase-transition kinetics in thermoresponsive and field-responsive ultrasoft colloids Physical Review X. 5. DOI: 10.1103/PhysRevX.5.011030  0.32
2015 Choi E, Yethiraj A. Entropic Mechanism for the Lower Critical Solution Temperature of Poly(ethylene oxide) in a Room Temperature Ionic Liquid Acs Macro Letters. 4: 799-803. DOI: 10.1021/acsmacrolett.5b00355  1
2015 Chang R, Kim Y, Yethiraj A. Osmotic Pressure of Polyelectrolyte Solutions with Salt: Grand Canonical Monte Carlo Simulation Studies Macromolecules. 48: 7370-7377. DOI: 10.1021/acs.macromol.5b01610  1
2014 Zhang L, Yethiraj A, Cui Q. Free Energy Calculations for the Peripheral Binding of Proteins/Peptides to an Anionic Membrane. 1. Implicit Membrane Models. Journal of Chemical Theory and Computation. 10: 2845-59. PMID 26586509 DOI: 10.1021/ct500218p  0.6
2014 Choi E, McDaniel JG, Schmidt JR, Yethiraj A. First-Principles, Physically Motivated Force Field for the Ionic Liquid [BMIM][BF4]. The Journal of Physical Chemistry Letters. 5: 2670-4. PMID 26277961 DOI: 10.1021/jz5010945  0.8
2014 Choi E, Yethiraj A. Conformational Properties of a Polymer in an Ionic Liquid: Computer Simulations and Integral Equation Theory of a Coarse-Grained Model. The Journal of Physical Chemistry. B. PMID 25310685 DOI: 10.1021/jp508876q  1
2014 Kwon G, Sung BJ, Yethiraj A. Dynamics in crowded environments: is non-Gaussian Brownian diffusion normal? The Journal of Physical Chemistry. B. 118: 8128-34. PMID 24779432 DOI: 10.1021/jp5011617  1
2014 Choi E, Mondal J, Yethiraj A. Coarse-grained models for aqueous polyethylene glycol solutions. The Journal of Physical Chemistry. B. 118: 323-9. PMID 24350686 DOI: 10.1021/jp408392b  1
2014 Mondal J, Choi E, Yethiraj A. Atomistic simulations of poly(ethylene oxide) in water and an ionic liquid at room temperature Macromolecules. 47: 438-446. DOI: 10.1021/ma4016714  1
2014 Choi E, McDaniel JG, Schmidt JR, Yethiraj A. First-principles, physically motivated force field for the ionic liquid [BMIM][BF4] Journal of Physical Chemistry Letters. 5: 2670-2674. DOI: 10.1021/jz5010945  1
2014 Zhang L, Yethiraj A, Cui Q. Free energy calculations for the peripheral binding of proteins/peptides to an anionic membrane. 1. implicit membrane models Journal of Chemical Theory and Computation. 10: 2845-2859. DOI: 10.1021/ct500218p  1
2013 Wu Z, Cui Q, Yethiraj A. Why do arginine and lysine organize lipids differently? Insights from coarse-grained and atomistic simulations. The Journal of Physical Chemistry. B. 117: 12145-56. PMID 24024591 DOI: 10.1021/jp4068729  1
2013 Sung BJ, Yethiraj A. Dynamics of two-dimensional and quasi-two-dimensional polymers. The Journal of Chemical Physics. 138: 234904. PMID 23802982 DOI: 10.1063/1.4810755  1
2013 Mondal J, Mahanthappa M, Yethiraj A. Self-assembly of gemini surfactants: a computer simulation study. The Journal of Physical Chemistry. B. 117: 4254-62. PMID 22967267 DOI: 10.1021/jp304933k  1
2013 Seymour MP, Wilding I, Xu B, Mercer JI, Plumer ML, Poduska KM, Yethiraj A, Van Lierop J. Micromagnetic modeling of experimental hysteresis loops for heterogeneous electrodeposited cobalt films Applied Physics Letters. 102. DOI: 10.1063/1.4793209  0.32
2013 Nöjd S, Mohanty PS, Bagheri P, Yethiraj A, Schurtenberger P. Electric field driven self-assembly of ionic microgels Soft Matter. 9: 9199-9207. DOI: 10.1039/c3sm51226f  0.32
2013 Pichumani M, Bagheri P, Poduska KM, González-Viñas W, Yethiraj A. Dynamics, crystallization and structures in colloid spin coating Soft Matter. 9: 3220-3229. DOI: 10.1039/c3sm27455a  0.32
2013 Dobnikar J, Snezhko A, Yethiraj A. Emergent colloidal dynamics in electromagnetic fields Soft Matter. 9: 3693-3704. DOI: 10.1039/c3sm27363f  0.32
2013 Yethiraj A, Striolo A. Fracking: What can physical chemistry offer? Journal of Physical Chemistry Letters. 4: 687-690. DOI: 10.1021/jz400141e  1
2013 Cui Q, Zhang L, Wu Z, Yethiraj A. Generation and sensing of membrane curvature: Where materials science and biophysics meet Current Opinion in Solid State and Materials Science. 17: 164-174. DOI: 10.1016/j.cossms.2013.06.002  1
2012 Cho HW, Kwon G, Sung BJ, Yethiraj A. Effect of polydispersity on diffusion in random obstacle matrices. Physical Review Letters. 109: 155901. PMID 23102336 DOI: 10.1103/PhysRevLett.109.155901  1
2012 Park S, Zhu X, Yethiraj A. Atomistic simulations of dilute polyelectrolyte solutions. The Journal of Physical Chemistry. B. 116: 4319-27. PMID 22432449 DOI: 10.1021/jp208138t  1
2012 Mondal J, Yethiraj A. Effect of secondary structure on the self-assembly of amphiphilic molecules: a multiscale simulation study. The Journal of Chemical Physics. 136: 084902. PMID 22380061 DOI: 10.1063/1.3689298  1
2012 Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-dependent pKa shift induced by molecular self-assembly: insights from computer simulation. The Journal of Physical Chemistry. B. 116: 491-5. PMID 22121949 DOI: 10.1021/jp2071953  1
2012 McDonald MJ, Yethiraj A, Beaulieu LY. A method to characterize structure and symmetry in low-resolution images of colloidal thin films Measurement Science and Technology. 23. DOI: 10.1088/0957-0233/23/4/045606  0.32
2012 Mohanty PS, Yethiraj A, Schurtenberger P. Deformable particles with anisotropic interactions: Unusual field-induced structural transitions in ultrasoft ionic microgel colloids Soft Matter. 8: 10819-10822. DOI: 10.1039/c2sm26729b  0.32
2012 Barhoum S, Castillo R, Yethiraj A. Characterization of dynamics and internal structure of a mixed-surfactant wormlike micellar system using NMR and rheometry Soft Matter. 8: 6950-6957. DOI: 10.1039/c2sm25237f  0.32
2011 Wu Z, Cui Q, Yethiraj A. A New Coarse-Grained Force Field for Membrane-Peptide Simulations. Journal of Chemical Theory and Computation. 7: 3793-802. PMID 26598270 DOI: 10.1021/ct200593t  0.6
2011 Mondal J, Bratton BP, Li Y, Yethiraj A, Weisshaar JC. Entropy-based mechanism of ribosome-nucleoid segregation in E. coli cells. Biophysical Journal. 100: 2605-13. PMID 21641305 DOI: 10.1016/j.bpj.2011.04.030  1
2011 Frischknecht AL, Yethiraj A. Two- and three-body interactions among nanoparticles in a polymer melt. The Journal of Chemical Physics. 134: 174901. PMID 21548703 DOI: 10.1063/1.3585979  1
2011 Kim JS, Yethiraj A. Crowding effects on protein association: effect of interactions between crowding agents. The Journal of Physical Chemistry. B. 115: 347-53. PMID 21166404 DOI: 10.1021/jp107123y  1
2011 Burnell EE, Dong RY, Weber ACJ, Yang X, Yethiraj A. Separation of nematic and smectic-A potential effects on solute ordering in a series of binary 6OCB-8OCB mixtures Canadian Journal of Chemistry. 89: 900-908. DOI: 10.1139/v11-027  0.32
2011 Wu Z, Cui Q, Yethiraj A. Driving force for the association of hydrophobic peptides: The importance of electrostatic interactions in coarse-grained water models Journal of Physical Chemistry Letters. 2: 1794-1798. DOI: 10.1021/jz2006622  1
2011 Wu Z, Cui Q, Yethiraj A. A new coarse-grained force field for membrane-peptide simulations Journal of Chemical Theory and Computation. 7: 3793-3802. DOI: 10.1021/ct200593t  1
2011 Tae Jung H, June Sung B, Yethiraj A. The influence of the polymer chain stiffness on tracer diffusion in polymeric matrices Journal of Polymer Science, Part B: Polymer Physics. 49: 818-825. DOI: 10.1002/polb.22253  1
2010 Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-dependent interaction of β-peptides with membranes. The Journal of Physical Chemistry. B. 114: 13585-92. PMID 20882985 DOI: 10.1021/jp1070242  1
2010 Wu Z, Cui Q, Yethiraj A. A new coarse-grained model for water: the importance of electrostatic interactions. The Journal of Physical Chemistry. B. 114: 10524-9. PMID 20701383 DOI: 10.1021/jp1019763  1
2010 Sung BJ, Yethiraj A. Structure of void space in polymer solutions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 81: 031801. PMID 20365759 DOI: 10.1103/PhysRevE.81.031801  1
2010 Kim JS, Yethiraj A. Crowding effects on association reactions at membranes. Biophysical Journal. 98: 951-8. PMID 20303852 DOI: 10.1016/j.bpj.2009.11.022  1
2010 Zhu X, Koenig P, Hoffmann M, Yethiraj A, Cui Q. Establishing effective simulation protocols for beta- and alpha/beta-peptides. III. Molecular mechanical model for acyclic beta-amino acids. Journal of Computational Chemistry. 31: 2063-77. PMID 20175215 DOI: 10.1002/jcc.21493  1
2010 Reddy G, Yethiraj A. Solvent effects in polyelectrolyte adsorption: computer simulations with explicit and implicit solvent. The Journal of Chemical Physics. 132: 074903. PMID 20170247 DOI: 10.1063/1.3319782  1
2010 Mondal J, Sung BJ, Yethiraj A. Sequence dependent self-assembly of beta-peptides: Insights from a coarse-grained model. The Journal of Chemical Physics. 132: 065103. PMID 20151759 DOI: 10.1063/1.3314309  1
2010 Li N, Newman HD, Valera M, Saika-Voivod I, Yethiraj A. Colloids with a tunable dipolar interaction: Equations of state and order parameters via confocal microscopy Soft Matter. 6: 876-880. DOI: 10.1039/b909953k  0.32
2010 Giuliani M, González-Viñas W, Poduska KM, Yethiraj A. Dynamics of crystal structure formation in spin-coated colloidal films Journal of Physical Chemistry Letters. 1: 1481-1486. DOI: 10.1021/jz1002605  0.32
2010 Mondal J, Zhu X, Cui Q, Yethiraj A. Self-assembly of β-Peptides: Insight from the pair and many-body free energy of association Journal of Physical Chemistry C. 114: 13551-13556. DOI: 10.1021/jp1040772  1
2009 Tang Y, Chen X, Yoo J, Yethiraj A, Cui Q. NUMERICAL SIMULATION OF NANOINDENTATION AND PATCH CLAMP EXPERIMENTS ON MECHANOSENSITIVE CHANNELS OF LARGE CONDUCTANCE IN ESCHERICHIA COLI. Shi Yan Li Xue = Journal of Experimental Mechanics / Zhongguo Li Xue Xue Hui, Zhongguo Ke Xue Ji Shu Da Xue Zhu Ban. 49: 35-46. PMID 21874098 DOI: 10.1007/s11340-007-9060-x  1
2009 Sung BJ, Yethiraj A. Computer simulations of protein diffusion in compartmentalized cell membranes. Biophysical Journal. 97: 472-9. PMID 19619461 DOI: 10.1016/j.bpj.2009.04.060  1
2009 Mondal J, Sung BJ, Yethiraj A. Sequence-directed organization of beta-peptides in self-assembled monolayers. The Journal of Physical Chemistry. B. 113: 9379-85. PMID 19545127 DOI: 10.1021/jp903341u  1
2009 Ma L, Yethiraj A, Chen X, Cui Q. A computational framework for mechanical response of macromolecules: application to the salt concentration dependence of DNA bendability. Biophysical Journal. 96: 3543-54. PMID 19413960 DOI: 10.1016/j.bpj.2009.01.047  1
2009 Sung BJ, Chang R, Yethiraj A. Swelling of polymers in porous media. The Journal of Chemical Physics. 130: 124908. PMID 19334890 DOI: 10.1063/1.3100398  1
2009 Kim JS, Damodaran S, Yethiraj A. Retardation of ice crystallization by short peptides. The Journal of Physical Chemistry. A. 113: 4403-7. PMID 19260668 DOI: 10.1021/jp8110748  1
2009 Kim JS, Yethiraj A. Effect of macromolecular crowding on reaction rates: a computational and theoretical study. Biophysical Journal. 96: 1333-40. PMID 19217851 DOI: 10.1016/j.bpj.2008.11.030  1
2009 Yethiraj A. Liquid state theory of polyelectrolyte solutions. The Journal of Physical Chemistry. B. 113: 1539-51. PMID 19035818 DOI: 10.1021/jp8069964  1
2008 Kim JS, Yethiraj A. The effect of salt on the melting of ice: A molecular dynamics simulation study. The Journal of Chemical Physics. 129: 124504. PMID 19045033 DOI: 10.1063/1.2979247  1
2008 Pizzey CL, Pomerantz WC, Sung BJ, Yuwono VM, Gellman SH, Hartgerink JD, Yethiraj A, Abbott NL. Characterization of nanofibers formed by self-assembly of beta-peptide oligomers using small angle x-ray scattering. The Journal of Chemical Physics. 129: 095103. PMID 19044891 DOI: 10.1063/1.2955745  1
2008 Tang Y, Yoo J, Yethiraj A, Cui Q, Chen X. Mechanosensitive channels: insights from continuum-based simulations. Cell Biochemistry and Biophysics. 52: 1-18. PMID 18787764 DOI: 10.1007/s12013-008-9024-5  1
2008 Zhu X, Koenig P, Gellman SH, Yethiraj A, Cui Q. Establishing effective simulation protocols for beta- and alpha/beta-peptides. II. Molecular mechanical (MM) model for a cyclic beta-residue. The Journal of Physical Chemistry. B. 112: 5439-48. PMID 18402479 DOI: 10.1021/jp077601y  1
2008 Chen X, Cui Q, Tang Y, Yoo J, Yethiraj A. Gating mechanisms of mechanosensitive channels of large conductance, I: a continuum mechanics-based hierarchical framework. Biophysical Journal. 95: 563-80. PMID 18390626 DOI: 10.1529/biophysj.107.128488  1
2008 Tang Y, Yoo J, Yethiraj A, Cui Q, Chen X. Gating mechanisms of mechanosensitive channels of large conductance, II: systematic study of conformational transitions. Biophysical Journal. 95: 581-96. PMID 18390625 DOI: 10.1529/biophysj.107.128496  1
2008 Padmanabhan V, Kumar SK, Yethiraj A. Phase behavior of semiflexible polymer chains. The Journal of Chemical Physics. 128: 124908. PMID 18376974 DOI: 10.1063/1.2842135  1
2008 Sung BJ, Yethiraj A. The effect of matrix structure on the diffusion of fluids in porous media. The Journal of Chemical Physics. 128: 054702. PMID 18266457 DOI: 10.1063/1.2823735  1
2008 Kim JS, Yethiraj A. A diffusive anomaly of water in aqueous sodium chloride solutions at low temperatures. The Journal of Physical Chemistry. B. 112: 1729-35. PMID 18215033 DOI: 10.1021/jp076710+  1
2008 Sung BJ, Yethiraj A. Lateral diffusion of proteins in the plasma membrane: spatial tessellation and percolation theory. The Journal of Physical Chemistry. B. 112: 143-9. PMID 18069820 DOI: 10.1021/jp0772068  1
2008 Chang WS, Link S, Yethiraj A, Barbara PF. Single molecule spectroscopy of conjugated polymer chains in an electric field-aligned liquid crystal. The Journal of Physical Chemistry. B. 112: 448-53. PMID 17975912 DOI: 10.1021/jp076345m  1
2007 Zhu X, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for β- and α/β-Mixed Peptides. I. QM and QM/MM Models. Journal of Chemical Theory and Computation. 3: 1538-49. PMID 26633224 DOI: 10.1021/ct600352e  0.6
2007 Yethiraj A, Weisshaar JC. Why are lipid rafts not observed in vivo? Biophysical Journal. 93: 3113-9. PMID 17660324 DOI: 10.1529/biophysj.106.101931  1
2007 Moorthy J, Burgess R, Yethiraj A, Beebe D. Microfluidic based platform for characterization of protein interactions in hydrogel nanoenvironments. Analytical Chemistry. 79: 5322-7. PMID 17569500 DOI: 10.1021/ac070226l  1
2007 Chang R, Yethiraj A. Structure and dynamics of short chain molecules in disordered porous materials: a molecular dynamics simulation study. The Journal of Chemical Physics. 126: 174906. PMID 17492885 DOI: 10.1063/1.2728900  1
2007 Barbara PF, Chang WS, Link S, Scholes GD, Yethiraj A. Structure and dynamics of conjugated polymers in liquid crystalline solvents. Annual Review of Physical Chemistry. 58: 565-84. PMID 17291185 DOI: 10.1146/annurev.physchem.57.032905.104730  1
2007 Sung BJ, Yethiraj A. Permeation of a hard sphere fluid into a quenched matrix. The Journal of Chemical Physics. 126: 034704. PMID 17249893 DOI: 10.1063/1.2424935  1
2007 Yethiraj A. Tunable colloids: Control of colloidal phase transitions with tunable interactions Soft Matter. 3: 1099-1115. DOI: 10.1039/b704251p  0.32
2007 Zhu X, Yethiraj A, Cui Q. Establishing effective simulation protocols for β- and α/β-mixed peptides. I. QM and QM/MM models Journal of Chemical Theory and Computation. 3: 1538-1549. DOI: 10.1021/ct600352e  1
2007 Yethiraj A, Burnell EE, Dong RY. The smectic potential in a liquid crystal with a reentrant nematic phase: NMR of solutes Chemical Physics Letters. 441: 245-249. DOI: 10.1016/j.cplett.2007.05.043  0.32
2007 Yethiraj A. Recent experimental developments at the nematic to smectic-a liquid crystal phase transition Tthermotropic Liquid Crystals: Recent Advances. 235-248. DOI: 10.1007/1-4020-5354-1_8  0.32
2006 Reddy G, Chang R, Yethiraj A. Adsorption and Dynamics of a Single Polyelectrolyte Chain near a Planar Charged Surface:  Molecular Dynamics Simulations with Explicit Solvent. Journal of Chemical Theory and Computation. 2: 630-6. PMID 26626670 DOI: 10.1021/ct050267u  1
2006 Jagannathan K, Sung BJ, Yethiraj A. Dynamics of probes in model glassy matrices. Physical Review Letters. 97: 145503. PMID 17155268 DOI: 10.1103/PhysRevLett.97.145503  1
2006 Yethiraj A. A Monte Carlo simulation study of branched polymers. The Journal of Chemical Physics. 125: 204901. PMID 17144734 DOI: 10.1063/1.2374884  1
2006 Link S, Chang WS, Yethiraj A, Barbara PF. Anisotropic diffusion of elongated and aligned polymer chains in a nematic solvent. The Journal of Physical Chemistry. B. 110: 19799-803. PMID 17020364 DOI: 10.1021/jp061929u  1
2006 Sung BJ, Yethiraj A. Lateral diffusion and percolation in membranes. Physical Review Letters. 96: 228103. PMID 16803348 DOI: 10.1103/PhysRevLett.96.228103  1
2006 Tang Y, Cao G, Chen X, Yoo J, Yethiraj A, Cui Q. A finite element framework for studying the mechanical response of macromolecules: application to the gating of the mechanosensitive channel MscL. Biophysical Journal. 91: 1248-63. PMID 16731564 DOI: 10.1529/biophysj.106.085985  1
2006 Chang R, Yethiraj A. Dynamics of chain molecules in disordered materials. Physical Review Letters. 96: 107802. PMID 16605792 DOI: 10.1103/PhysRevLett.96.107802  1
2006 Link S, Chang WS, Yethiraj A, Barbara PF. Orthogonal orientations for solvation of polymer molecules in smectic solvents. Physical Review Letters. 96: 017801. PMID 16486517 DOI: 10.1103/PhysRevLett.96.017801  1
2006 Reddy G, Yethiraj A. Implicit and explicit solvent models for the simulation of dilute polymer solutions Macromolecules. 39: 8536-8542. DOI: 10.1021/ma061176+  1
2006 Chang R, Yethiraj A. Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent Macromolecules. 39: 821-828. DOI: 10.1021/ma051095y  1
2006 Reddy G, Chang R, Yethiraj A. Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent Journal of Chemical Theory and Computation. 2: 630-636. DOI: 10.1021/ct050267u  1
2006 Khare R, Keblinski P, Yethiraj A. Molecular dynamics simulations of heat and momentum transfer at a solid-fluid interface: Relationship between thermal and velocity slip International Journal of Heat and Mass Transfer. 49: 3401-3407. DOI: 10.1016/j.ijheatmasstransfer.2006.03.005  1
2005 Jagannathan K, Reddy G, Yethiraj A. Integral equation theory for symmetric nonadditive hard sphere mixtures. The Journal of Physical Chemistry. B. 109: 6764-8. PMID 16851761 DOI: 10.1021/jp045515h  1
2005 Sung BJ, Yethiraj A. Molecular-dynamics simulations for nonclassical kinetics of diffusion-controlled bimolecular reactions. The Journal of Chemical Physics. 123: 114503. PMID 16392569 DOI: 10.1063/1.2035081  1
2005 Sung BJ, Yethiraj A. Integral equation theory of randomly coupled multiblock copolymer melts: effect of block size on the phase behavior. The Journal of Chemical Physics. 123: 214901. PMID 16356064 DOI: 10.1063/1.2131057  1
2005 Sung BJ, Yethiraj A. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media. The Journal of Chemical Physics. 123: 074909. PMID 16229622 DOI: 10.1063/1.2008232  1
2005 Jagannathan K, Yethiraj A. Dynamics of fluids near the consolute critical point: a molecular-dynamics study of the Widom-Rowlinson mixture. The Journal of Chemical Physics. 122: 244506. PMID 16035781 DOI: 10.1063/1.1940053  1
2005 Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts: self-consistent treatment of intramolecular and intermolecular correlations. The Journal of Chemical Physics. 122: 234904. PMID 16008484 DOI: 10.1063/1.1931649  1
2005 Yethiraj A, Sung BJ, Lado F. Integral equation theory for two-dimensional polymer melts. The Journal of Chemical Physics. 122: 094910. PMID 15836184 DOI: 10.1063/1.1857520  1
2005 Sengers JV, Moldover MR, Jagannathan K, Yethiraj A. Comment on "molecular dynamics simulations of a fluid near its critical point" Physical Review Letters. 94. DOI: 10.1103/PhysRevLett.94.069601  1
2005 Chang R, Yethiraj A. Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study Macromolecules. 38: 607-616. DOI: 10.1021/ma0486952  1
2004 Miyazaki K, Bagchi B, Yethiraj A. Self-consistent mode-coupling theory for the viscosity of rodlike polyelectrolyte solutions. The Journal of Chemical Physics. 121: 8120-7. PMID 15485276 DOI: 10.1063/1.1797193  1
2004 Reddy G, Yethiraj A. The behavior of fluids near solutes: a density functional theory and computer simulation study. The Journal of Chemical Physics. 121: 4203-9. PMID 15332968 DOI: 10.1063/1.1779211  1
2004 Jagannathan K, Yethiraj A. Molecular dynamics simulations of a fluid near its critical point. Physical Review Letters. 93: 015701. PMID 15323991 DOI: 10.1103/PhysRevLett.93.015701  1
2004 Chang R, Jagannathan K, Yethiraj A. Diffusion of hard sphere fluids in disordered media: a molecular dynamics simulation study. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 051101. PMID 15244802  1
2004 Patra CN, Chang R, Yethiraj A. Structure of polyelectrolyte solutions at a charged surface Journal of Physical Chemistry B. 108: 9126-9132. DOI: 10.1021/jp0373200  1
2004 Yethiraj A, Sun Z, Dong RY, Burnell EE. NMR measurement of smectic ordering and nematic-smectic-A coupling in a liquid crystal Chemical Physics Letters. 398: 517-521. DOI: 10.1016/j.cplett.2004.09.108  0.32
2004 Yethiraj A, Thijssen JHJ, Wouterse A, Van Bladderen A. Large-area electric-field-induced colloidal single crystals for photonic applications Advanced Materials. 16: 596-600+574.  0.32
2003 Reddy G, Lawrence CP, Skinner JL, Yethiraj A. Liquid state theories for the structure of water Journal of Chemical Physics. 119: 13012-13016. DOI: 10.1063/1.1627326  1
2003 Sung BJ, Yethiraj A. Monte Carlo simulations and integral equation theory for the structure of telechelic polymers Journal of Chemical Physics. 119: 6916-6924. DOI: 10.1063/1.1605383  1
2003 Chang R, Yethiraj A. Brownien dynamics simulations of polyelectrolyte solutions with divalent counterions Journal of Chemical Physics. 118: 11315-11325. DOI: 10.1063/1.1575731  1
2003 Jagannathan K, Yethiraj A. Monte Carlo simulations for the phase behavior of symmetric nonadditive hard sphere mixtures Journal of Chemical Physics. 118: 7907-7911. DOI: 10.1063/1.1563595  1
2003 Chang R, Yethiraj A. Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent Journal of Chemical Physics. 118: 6634-6647. DOI: 10.1063/1.1558312  1
2003 Patra CN, Yethiraj A. Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions Journal of Chemical Physics. 118: 4702-4706. DOI: 10.1063/1.1543141  1
2003 Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers Journal of Chemical Physics. 118: 3904-3905. DOI: 10.1063/1.1539843  1
2003 Müller M, MacDowell LG, Yethiraj A. Short chains at surfaces and interfaces: A quantitative comparison between density-functional theories and Monte Carlo simulations Journal of Chemical Physics. 118: 2929-2940. DOI: 10.1063/1.1535893  1
2003 Yethiraj A. Computer simulation study of two-dimensional polymer solutions Macromolecules. 36: 5854-5862. DOI: 10.1021/ma025907r  1
2003 Chang R, Yethiraj A. The behavior of salt-free polyelectrolyte solutions at charged surfaces Progress in Organic Coatings. 47: 331-336. DOI: 10.1016/S0300-9440(03)00125-5  1
2002 Hoogenboom JP, Yethiraj A, Van Langen-Suurling AK, Romijn J, Van Blaaderen A. Epitaxial crystal growth of charged colloids. Physical Review Letters. 89: 256104. PMID 12484905  0.32
2002 Jagannathan K, Chang R, Yethiraj A. A Monte Carlo study of the self-assembly of bacteriorhodopsin. Biophysical Journal. 83: 1902-16. PMID 12324411 DOI: 10.1016/S0006-3495(02)73954-4  1
2002 Miyazaki K, Yethiraj A. Entanglement effects in mode coupling theories of polymers Journal of Chemical Physics. 117: 10448-10451. DOI: 10.1063/1.1527943  1
2002 Jagannathan K, Yethiraj A. Density functional theory and Monte Carlo simulations for hard sphere fluids in square and rectangular channels Journal of Chemical Physics. 116: 5795-5800. DOI: 10.1063/1.1456025  1
2002 Yethiraj A. Integral equations for polymers in quenched random media Journal of Chemical Physics. 116: 5910-5911. DOI: 10.1063/1.1456022  1
2002 Chang R, Yethiraj A. Brownian dynamics simulations of salt-free polyelectrolyte solutions Journal of Chemical Physics. 116: 5284-5298. DOI: 10.1063/1.1453396  1
2002 Shew CY, Yethiraj A. Integral equation theory for the structure of DNA solutions Journal of Chemical Physics. 116: 5308-5314. DOI: 10.1063/1.1448492  1
2002 Yethiraj A. Polymer melts at solid surfaces Advances in Chemical Physics. 121: 89-139.  1
2002 Yethiraj A, Van Blaaderen A. Monodisperse colloidal suspensions of silica and PMMA spheres as model electrorheological fluids: A real-space study of structure formation International Journal of Modern Physics B. 16: 2328-2333.  0.32
2001 Herbut IF, Yethiraj A, Bechhoefer J. Effect of order parameter fluctuations on the Halperin-Lubensky-Ma first-order transition in superconductors and liquid crystals Europhysics Letters. 55: 317-323. DOI: 10.1209/epl/i2001-00417-3  0.32
2001 Srinivas G, Yethiraj A, Bagchi B. Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain Journal of Chemical Physics. 114: 9170-9178. DOI: 10.1063/1.1369130  1
2001 Khare R, De Pablo J, Yethiraj A. Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films Journal of Chemical Physics. 114: 7593-7601. DOI: 10.1063/1.1361077  1
2001 Chang R, Yethiraj A. Solvent effects on the collapse dynamics of polymers Journal of Chemical Physics. 114: 7688-7699. DOI: 10.1063/1.1361071  1
2001 Yethiraj A, Fynewever H, Shew CY. Density functional theory for pair correlation functions in polymeric liquids Journal of Chemical Physics. 114: 4323-4330. DOI: 10.1063/1.1348031  1
2001 Shew CY, Yethiraj A. Effect of acid-base equilibria on the fractional charge and conformational properties of polyelectrolyte solutions Journal of Chemical Physics. 114: 2830-2838. DOI: 10.1063/1.1334677  1
2001 Kalyuzhnyi YV, Lin CT, Stell G, Yethiraj A. Structural and thermodynamic properties of a freely-jointed Yukawa hard-sphere chain fluid Journal of Molecular Liquids. 92: 85-96. DOI: 10.1016/S0167-7322(01)00180-5  1
2001 Srinivas G, Yethiraj A, Bagchi B. FRET by FET and dynamics of polymer folding Journal of Physical Chemistry B. 105: 2477-2478.  1
2000 Patra CN, Yethiraj A. Density functional theory for the nonspecific binding of salt to polyelectrolytes: thermodynamic properties. Biophysical Journal. 78: 699-706. PMID 10653783 DOI: 10.1016/S0006-3495(00)76628-8  1
2000 Shew CY, Yethiraj A. Self-consistent integral equation theory for semiflexible chain polyelectrolyte solutions Journal of Chemical Physics. 113: 8841-8847. DOI: 10.1063/1.1290130  1
2000 Yethiraj A. Integral equation theory for the surface segregation from blends of linear and star polymers Computational and Theoretical Polymer Science. 10: 115-123. DOI: 10.1016/S1089-3156(99)00064-1  1
2000 Yethiraj A, Stell G. An integral equation theory for the Widom-Rowlinson mixture Journal of Statistical Physics. 100: 39-47.  1
2000 Yethiraj A, Bechhoefer J. Two Experimental Tests of the Halperin-Lubensky-Ma Effect at the Nematic-Smectic-A Phase Transition Physical Review Letters. 84: 3642-3645.  0.32
2000 Egorov SA, Yethiraj A, Skinner JL. Local density enhancement in dilute supercritical solutions Chemical Physics Letters. 317: 558-566.  1
2000 Patra CN, Yethiraj A. Generalized van der Waals density functional theory for nonuniform polymers Journal of Chemical Physics. 112: 1579-1584.  1
1999 Shew CY, Yethiraj A. Conformational properties of isolated polyelectrolytes in poor solvents Journal of Chemical Physics. 110: 676-681. DOI: 10.1063/1.478138  1
1999 Yethiraj A. Molecular modeling of polymers at surfaces Chemical Engineering Journal. 74: 109-115. DOI: 10.1016/S1385-8947(99)00060-1  1
1999 Mukhopadhyay R, Yethiraj A, Bechhoefer J. External-Field-Induced Tricritical Point in a Fluctuation-Driven Nematic-Smectic-A Transition Physical Review Letters. 83: 4796-4799.  0.32
1999 Yethiraj A. Forces between surfaces immersed in polyelectrolyte solutions Journal of Chemical Physics. 111: 1797-1800.  1
1999 Patra CN, Yethiraj A. Density Functional Theory for the Distribution of Small Ions around Polyions Journal of Physical Chemistry B. 103: 6080-6087.  1
1999 Patra CN, Yethiraj A, Curro JG. The effect of attractions on the structure of fused sphere chains confined between surfaces Journal of Chemical Physics. 111: 1608-1614.  1
1999 Shew CY, Yethiraj A. Computer simulations and integral equation theory for the structure of salt-free rigid rod polyelectrolyte solutions: Explicit incorporation of counterions Journal of Chemical Physics. 110: 11599-11607.  1
1999 Shew CY, Yethiraj A. Monte Carlo simulations and self-consistent integral equation theory for polyelectrolyte solutions Journal of Chemical Physics. 110: 5437-5443.  1
1998 Shew CY, Yethiraj A. Ion binding in tobacco mosaic virus solutions Journal of Chemical Physics. 109: 5162-5163. DOI: 10.1063/1.477131  1
1998 Yethiraj A. Density functional theory of polymers: A Curtin-Ashcroft type weighted density approximation Journal of Chemical Physics. 109: 3269-3275. DOI: 10.1063/1.476918  1
1998 Yethiraj A, Fynewever H. Isotropic to nematic transition in semiflexible polymer melts Molecular Physics. 93: 693-701.  1
1998 Fynewever H, Yethiraj A. Phase behavior of semiflexible tangent hard sphere chains Journal of Chemical Physics. 108: 1636-1644.  1
1998 Yethiraj A. Theory for chain conformations and static structure of dilute and semidilute polyelectrolyte solutions Journal of Chemical Physics. 108: 1184-1192.  1
1997 Yethiraj A, Bechhoefer J. Using nematic director fluctuations as a sensitive probe of the nematic-smectic-a phase transition in liquid crystals Molecular Crystals and Liquid Crystals Science and Technology Section a: Molecular Crystals and Liquid Crystals. 304: 301-307.  0.32
1997 Yethiraj A. Conformational properties and static structure factor of polyelectrolyte solutions Physical Review Letters. 78: 3789-3792.  1
1997 Khare R, De Pablo J, Yethiraj A. Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear Journal of Chemical Physics. 107: 6956-6964.  1
1997 Khare R, De Pablo J, Yethiraj A. Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows Journal of Chemical Physics. 107: 2589-2596.  1
1997 Shew CY, Yethiraj A. Integral equation theory of solutions of rigid polyelectrolytes Journal of Chemical Physics. 106: 5706-5719.  1
1997 Wen Y, Yethiraj A, Weisshaar JC. Excited state kinetics of neutral transition metal atoms by stimulated emission pumping: V* (3d44s, a4D) + hydrocarbons Journal of Chemical Physics. 106: 5509-5525.  1
1996 Yethiraj A, Shew CY. Structure of Polyelectrolyte Solutions. Physical Review Letters. 77: 3937-3940. PMID 10062346  1
1996 Yethiraj A. Weighted Density Approximation for Polymer Melts Acs Symposium Series. 629: 274-285.  1
1996 Shew CY, Yethiraj A. Phase behavior of the Widom-Rowlinson mixture Journal of Chemical Physics. 104: 7665-7670.  1
1996 Khare R, De Pablo JJ, Yethiraj A. Rheology of confined polymer melts Macromolecules. 29: 7910-7918.  1
1996 Egorov SA, Stephens MD, Yethiraj A, Skinner JL. Structure and dynamics of infinitely dilute solutions Molecular Physics. 88: 477-487.  1
1995 Yethiraj A. Entropic and enthalpic surface segregation from blends of branched and linear polymers. Physical Review Letters. 74: 2018-2021. PMID 10057821 DOI: 10.1103/PhysRevLett.74.2018  1
1995 Sonin AA, Yethiraj A, Bechhoefer J, Frisken BJ. Temperature-induced orientational transitions in freely suspended nematic films. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 52: 6260-6266. PMID 9964142 DOI: 10.1103/PhysRevE.52.6260  0.32
1995 Yethiraj A, Woodward CE. Monte Carlo density functional theory of nonuniform polymer melts The Journal of Chemical Physics. 102: 5499-5505.  1
1995 Phan S, Kierlik E, Rosinberg ML, Yethiraj A, Dickman R. Perturbation density functional theory and Monte Carlo simulations for the structure of hard triatomic fluids in slitlike pores The Journal of Chemical Physics. 102: 2141-2150.  1
1995 Yethiraj A, Curro JG, Rajasekaran JJ. Thermodynamics and local structure of vinyl polymer melts The Journal of Chemical Physics. 103: 2229-2236.  1
1995 Singh C, Schweizer KS, Yethiraj A. Fluctuation phenomena in structurally symmetric polymer blends The Journal of Chemical Physics. 102: 2187-2208.  1
1995 Yethiraj A. Monte Carlo simulations for the equation of state of athermal linear alkanes The Journal of Chemical Physics. 102: 6874-6880.  1
1995 Kumar SK, Yethiraj A, Schweizer KS, Leermakers FAM. The effects of local stiffness disparity on the surface segregation from binary polymer blends The Journal of Chemical Physics. 103: 10332-10346.  1
1994 Woodward CE, Yethiraj A. Density functional theory for inhomogeneous polymer solutions The Journal of Chemical Physics. 100: 3181-3186.  1
1994 Yethiraj A. Monte Carlo simulation of confined semiflexible polymer melts The Journal of Chemical Physics. 101: 2489-2497.  1
1994 Dickman R, Yethiraj A. Polymer-induced forces between colloidal particles. A Monte Carlo simulation The Journal of Chemical Physics. 100: 4683-4690.  1
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