| Year |
Citation |
Score |
| 2023 |
Liu Z, Yethiraj A, Cui Q. Sensitive and selective polymer condensation at membrane surface driven by positive co-operativity. Proceedings of the National Academy of Sciences of the United States of America. 120: e2212516120. PMID 37018196 DOI: 10.1073/pnas.2212516120 |
0.422 |
|
| 2022 |
Jung H, Yethiraj A. Phase behavior of continuous-space systems: A supervised machine learning approach. The Journal of Chemical Physics. 153: 064904. PMID 35287449 DOI: 10.1063/5.0014194 |
0.783 |
|
| 2022 |
Muralidharan A, Yethiraj A. Fast estimation of ion-pairing for screening electrolytes: A cluster can approximate a bulk liquid. The Journal of Chemical Physics. 156: 054801. PMID 35135263 DOI: 10.1063/5.0077013 |
0.539 |
|
| 2021 |
Lytle TK, Muralidharan A, Yethiraj A. Why Lithium Ions Stick to Some Anions and Not Others. The Journal of Physical Chemistry. B. PMID 33881867 DOI: 10.1021/acs.jpcb.1c01660 |
0.558 |
|
| 2020 |
Jung HT, Yethiraj A. Phase Behavior of Poly(ethylene oxide) in Room Temperature Ionic Liquids: A Molecular Simulation and Deep Neural Network Study. The Journal of Physical Chemistry. B. PMID 32986423 DOI: 10.1021/acs.jpcb.0c06510 |
0.804 |
|
| 2020 |
Jeong KJ, McDaniel JG, Yethiraj A. A Transferable Polarizable Force Field for Urea Crystals and Aqueous Solutions. The Journal of Physical Chemistry. B. PMID 32786712 DOI: 10.1021/Acs.Jpcb.0C05814 |
0.382 |
|
| 2020 |
Muralidharan A, Schmidt JR, Yethiraj A. A Solvation Induced Ring Puckering Effect in Fluorinated Prolines and Its Inclusion in Classical Force-Fields. The Journal of Physical Chemistry. B. PMID 32551633 DOI: 10.1021/Acs.Jpcb.0C04312 |
0.701 |
|
| 2020 |
Kil KH, Yethiraj A, Kim JS. Nematic ordering of hard rods under strong confinement in a dense array of nanoposts. Physical Review. E. 101: 032705. PMID 32289982 DOI: 10.1103/Physreve.101.032705 |
0.524 |
|
| 2020 |
Singh A, Yethiraj A. The Driving Force for the Complexation of Charged Polypeptides. The Journal of Physical Chemistry. B. PMID 31990555 DOI: 10.1021/Acs.Jpcb.9B09553 |
0.344 |
|
| 2020 |
Jung H, Yethiraj A. Phase behavior of continuous-space systems: A supervised machine learning approach Journal of Chemical Physics. 153: 64904. DOI: 10.1063/5.0014194 |
0.37 |
|
| 2019 |
Son CY, McDaniel JG, Cui Q, Yethiraj A. Proper Thermal Equilibration of Simulations with Drude Polarizable Models : Temperature Grouped Dual-Nos ́e-Hoover Thermostat. The Journal of Physical Chemistry Letters. PMID 31722528 DOI: 10.1021/Acs.Jpclett.9B02983 |
0.775 |
|
| 2019 |
Cui K, Yethiraj A, Schmidt JR. Influence of Charge Scaling on the Solvation Properties of Ionic Liquid Solutions. The Journal of Physical Chemistry. B. PMID 31589039 DOI: 10.1021/Acs.Jpcb.9B08033 |
0.581 |
|
| 2019 |
McDaniel JG, Yethiraj A. Understanding the Properties of Ionic Liquids: Electrostatics, Structure Factors, and Their Sum Rules. The Journal of Physical Chemistry. B. PMID 30933506 DOI: 10.1021/Acs.Jpcb.9B00963 |
0.336 |
|
| 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 |
0.721 |
|
| 2019 |
Chang R, Yethiraj A. Can Polymer Chains Cross Each Other and Still Be Entangled? Macromolecules. 52: 2000-2006. DOI: 10.1021/Acs.Macromol.8B02299 |
0.561 |
|
| 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 |
0.314 |
|
| 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 |
0.793 |
|
| 2018 |
McDaniel JG, Son CY, Yethiraj A. Ab Initio Force Fields for Organic Anions: Properties of [BMIM][TFSI], [BMIM][FSI], and [BMIM][OTf] Ionic Liquids. The Journal of Physical Chemistry. B. PMID 29536738 DOI: 10.1021/Acs.Jpcb.8B01221 |
0.752 |
|
| 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 |
0.355 |
|
| 2018 |
Son CY, McDaniel JG, Cui Q, Yethiraj A. Conformational and Dynamic Properties of Poly(ethylene oxide) in BMIM+BF4–: A Microsecond Computer Simulation Study Using ab Initio Force Fields Macromolecules. 51: 5336-5345. DOI: 10.1021/Acs.Macromol.8B01002 |
0.573 |
|
| 2017 |
McDaniel JG, Yethiraj A. Grotthuss Transport of Iodide in EMIM/I3 Ionic Crystal. The Journal of Physical Chemistry. B. PMID 29195043 DOI: 10.1021/Acs.Jpcb.7B09292 |
0.307 |
|
| 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 |
0.321 |
|
| 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 |
0.752 |
|
| 2017 |
Palit S, He L, Hamilton WA, Yethiraj A, Yethiraj A. The effect of crowder charge in a model polymer-colloid system for macromolecular crowding: Polymer structure and dynamics. The Journal of Chemical Physics. 147: 114902. PMID 28938832 DOI: 10.1063/1.4986353 |
0.373 |
|
| 2017 |
McDaniel JG, Yethiraj A. Proton Diffusion Through Bilayer Pores. The Journal of Physical Chemistry. B. PMID 28905622 DOI: 10.1021/Acs.Jpcb.7B07780 |
0.319 |
|
| 2017 |
Yethiraj A, Jungwirth P. More than Virtual Reality: Important New Physical Insights in Simulations of Biomolecules and Synthetic Polymers. The Journal of Physical Chemistry. B. 121: 6294. PMID 28679213 DOI: 10.1021/Acs.Jpcb.7B05957 |
0.361 |
|
| 2017 |
McDaniel JG, Yethiraj A. Coupling Between the Dynamics of Water and Surfactants in Lyotropic Liquid Crystals. The Journal of Physical Chemistry. B. PMID 28443331 DOI: 10.1021/Acs.Jpcb.7B02551 |
0.354 |
|
| 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 |
0.37 |
|
| 2017 |
Palit S, He L, Hamilton WA, Yethiraj A, Yethiraj A. Combining Diffusion NMR and Small-Angle Neutron Scattering Enables Precise Measurements of Polymer Chain Compression in a Crowded Environment. Physical Review Letters. 118: 097801. PMID 28306301 DOI: 10.1103/Physrevlett.118.097801 |
0.381 |
|
| 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 |
0.345 |
|
| 2016 |
McDaniel JG, Mantha S, Yethiraj A. The Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals. The Journal of Physical Chemistry. B. PMID 27671427 DOI: 10.1021/Acs.Jpcb.6B08087 |
0.34 |
|
| 2016 |
Yethiraj A. Structure of room temperature ionic liquids. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 414020. PMID 27546807 DOI: 10.1088/0953-8984/28/41/414020 |
0.408 |
|
| 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 |
0.78 |
|
| 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 |
0.459 |
|
| 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 |
0.419 |
|
| 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 |
0.348 |
|
| 2016 |
Mantha S, Yethiraj A. Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor. The Journal of Chemical Physics. 144: 084504. PMID 26931709 DOI: 10.1063/1.4942471 |
0.376 |
|
| 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 |
0.793 |
|
| 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 |
0.54 |
|
| 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 |
0.708 |
|
| 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 |
0.81 |
|
| 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 |
0.44 |
|
| 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 |
0.406 |
|
| 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 |
0.349 |
|
| 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 |
0.549 |
|
| 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 |
0.462 |
|
| 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 |
0.615 |
|
| 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 |
0.471 |
|
| 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 |
0.719 |
|
| 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 |
0.585 |
|
| 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 |
0.588 |
|
| 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 |
0.493 |
|
| 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 |
0.359 |
|
| 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 |
0.497 |
|
| 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 |
0.718 |
|
| 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 |
0.579 |
|
| 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 |
0.458 |
|
| 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 |
0.695 |
|
| 2012 |
Kim JS, Wu Z, Morrow AR, Yethiraj A, Yethiraj A. Self-diffusion and viscosity in electrolyte solutions. The Journal of Physical Chemistry. B. 116: 12007-13. PMID 22967241 DOI: 10.1021/Jp306847T |
0.546 |
|
| 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 |
0.406 |
|
| 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 |
0.545 |
|
| 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 |
0.624 |
|
| 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 |
0.51 |
|
| 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 |
0.531 |
|
| 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 |
0.368 |
|
| 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 |
0.493 |
|
| 2011 |
Mondal J, Yethiraj A. Driving Force for the Association of Amphiphilic Molecules The Journal of Physical Chemistry Letters. 2: 2391-2395. DOI: 10.1021/Jz201046X |
0.559 |
|
| 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 |
0.485 |
|
| 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 |
0.394 |
|
| 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 |
0.395 |
|
| 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 |
0.622 |
|
| 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 |
0.485 |
|
| 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 |
0.726 |
|
| 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 |
0.494 |
|
| 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 |
0.488 |
|
| 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 |
0.602 |
|
| 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 |
0.745 |
|
| 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 |
0.621 |
|
| 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 |
0.505 |
|
| 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 |
0.713 |
|
| 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 |
0.739 |
|
| 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 |
0.491 |
|
| 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 |
0.762 |
|
| 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 |
0.464 |
|
| 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 |
0.47 |
|
| 2009 |
Yethiraj A. Liquid state theory of polyelectrolyte solutions. The Journal of Physical Chemistry. B. 113: 1539-51. PMID 19035818 DOI: 10.1021/Jp8069964 |
0.391 |
|
| 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 |
0.494 |
|
| 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 |
0.67 |
|
| 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 |
0.462 |
|
| 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 |
0.486 |
|
| 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 |
0.519 |
|
| 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 |
0.516 |
|
| 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 |
0.422 |
|
| 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 |
0.716 |
|
| 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+ |
0.507 |
|
| 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 |
0.724 |
|
| 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 |
0.345 |
|
| 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 |
0.395 |
|
| 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 |
0.606 |
|
| 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 |
0.401 |
|
| 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 |
0.72 |
|
| 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 |
0.676 |
|
| 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 |
0.752 |
|
| 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 |
0.434 |
|
| 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 |
0.353 |
|
| 2006 |
Sung BJ, Yethiraj A. Lateral diffusion and percolation in membranes. Physical Review Letters. 96: 228103. PMID 16803348 DOI: 10.1103/Physrevlett.96.228103 |
0.7 |
|
| 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 |
0.506 |
|
| 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 |
0.583 |
|
| 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 |
0.341 |
|
| 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+ |
0.642 |
|
| 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 |
0.612 |
|
| 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 |
0.527 |
|
| 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 |
0.337 |
|
| 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 |
0.718 |
|
| 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 |
0.708 |
|
| 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 |
0.724 |
|
| 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 |
0.748 |
|
| 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 |
0.633 |
|
| 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 |
0.715 |
|
| 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 |
0.729 |
|
| 2005 |
Jagannathan K, Yethiraj A. Jagannathan and Yethiraj Reply: Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.069602 |
0.474 |
|
| 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 |
0.57 |
|
| 2005 |
Sung BJ, Yethiraj A. Integral Equation Theory of Random Copolymer Melts Macromolecules. 38: 2000-2008. DOI: 10.1021/Ma0487195 |
0.705 |
|
| 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 |
0.59 |
|
| 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 |
0.355 |
|
| 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 |
0.628 |
|
| 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 |
0.637 |
|
| 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 DOI: 10.1103/Physreve.69.051101 |
0.7 |
|
| 2004 |
Jagannathan K, Yethiraj A. Publisher's Note: Molecular Dynamics Simulations of a Fluid near Its Critical Point [Phys. Rev. Lett.93, 015701 (2004)] Physical Review Letters. 93. DOI: 10.1103/Physrevlett.93.029902 |
0.609 |
|
| 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 |
0.571 |
|
| 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 |
0.622 |
|
| 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 |
0.757 |
|
| 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 |
0.597 |
|
| 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 |
0.637 |
|
| 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 |
0.632 |
|
| 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 |
0.406 |
|
| 2003 |
Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers Journal of Chemical Physics. 118: 3904-3905. DOI: 10.1063/1.1539843 |
0.386 |
|
| 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 |
0.391 |
|
| 2003 |
Yethiraj A. Computer simulation study of two-dimensional polymer solutions Macromolecules. 36: 5854-5862. DOI: 10.1021/Ma025907R |
0.392 |
|
| 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 |
0.585 |
|
| 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 |
0.679 |
|
| 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 |
0.338 |
|
| 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 |
0.6 |
|
| 2002 |
Yethiraj A. Integral equations for polymers in quenched random media Journal of Chemical Physics. 116: 5910-5911. DOI: 10.1063/1.1456022 |
0.315 |
|
| 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 |
0.603 |
|
| 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 |
0.332 |
|
| 2001 |
Srinivas G, Yethiraj A, Bagchi B. Erratum: “Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain” [J. Chem. Phys. 114, 9170 (2001)] The Journal of Chemical Physics. 115: 6268-6268. DOI: 10.1063/1.1402634 |
0.308 |
|
| 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 |
0.319 |
|
| 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 |
0.383 |
|
| 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 |
0.6 |
|
| 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 |
0.372 |
|
| 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 |
0.394 |
|
| 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 |
0.593 |
|
| 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 |
0.35 |
|
| 2000 |
Patra CN, Yethiraj A. Generalized van der Waals density functional theory for nonuniform polymers Journal of Chemical Physics. 112: 1579-1584. DOI: 10.1063/1.480706 |
0.392 |
|
| 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 |
0.389 |
|
| 2000 |
Yethiraj A, Stell G. An integral equation theory for the Widom-Rowlinson mixture Journal of Statistical Physics. 100: 39-47. DOI: 10.1023/A:1018623224797 |
0.575 |
|
| 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 |
0.346 |
|
| 2000 |
Egorov SA, Yethiraj A, Skinner JL. Local density enhancement in dilute supercritical solutions Chemical Physics Letters. 317: 558-566. DOI: 10.1016/S0009-2614(99)01434-7 |
0.356 |
|
| 1999 |
Yethiraj A. Forces between surfaces immersed in polyelectrolyte solutions Journal of Chemical Physics. 111: 1797-1800. DOI: 10.1063/1.479448 |
0.309 |
|
| 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. DOI: 10.1063/1.479421 |
0.366 |
|
| 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. DOI: 10.1063/1.479099 |
0.429 |
|
| 1999 |
Shew CY, Yethiraj A. Monte Carlo simulations and self-consistent integral equation theory for polyelectrolyte solutions Journal of Chemical Physics. 110: 5437-5443. DOI: 10.1063/1.478439 |
0.472 |
|
| 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 |
0.415 |
|
| 1999 |
Patra CN, Yethiraj A. Density Functional Theory for the Distribution of Small Ions around Polyions Journal of Physical Chemistry B. 103: 6080-6087. DOI: 10.1021/Jp991062I |
0.358 |
|
| 1999 |
Yethiraj A. Molecular modeling of polymers at surfaces Chemical Engineering Journal. 74: 109-115. DOI: 10.1016/S1385-8947(99)00060-1 |
0.413 |
|
| 1998 |
Yethiraj A, Fynewever H. Isotropic to nematic transition in semiflexible polymer melts Molecular Physics. 93: 693-701. DOI: 10.1080/00268979809482255 |
0.394 |
|
| 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 |
0.395 |
|
| 1998 |
Fynewever H, Yethiraj A. Phase behavior of semiflexible tangent hard sphere chains Journal of Chemical Physics. 108: 1636-1644. DOI: 10.1063/1.475534 |
0.41 |
|
| 1998 |
Yethiraj A. Theory for chain conformations and static structure of dilute and semidilute polyelectrolyte solutions Journal of Chemical Physics. 108: 1184-1192. DOI: 10.1063/1.475480 |
0.419 |
|
| 1998 |
Curro JG, Weinhold JD, McCoy JD, Yethiraj A. The structure of amorphous polymers near surfaces: athermal systems Computational and Theoretical Polymer Science. 8: 159-168. DOI: 10.1016/S1089-3156(98)00029-4 |
0.371 |
|
| 1997 |
Yethiraj A. Conformational properties and static structure factor of polyelectrolyte solutions Physical Review Letters. 78: 3789-3792. DOI: 10.1103/Physrevlett.78.3789 |
0.364 |
|
| 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. DOI: 10.1063/1.474935 |
0.395 |
|
| 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. DOI: 10.1063/1.474570 |
0.358 |
|
| 1997 |
Shew CY, Yethiraj A. Integral equation theory of solutions of rigid polyelectrolytes Journal of Chemical Physics. 106: 5706-5719. DOI: 10.1063/1.473590 |
0.349 |
|
| 1996 |
Shew CY, Yethiraj A. Phase behavior of the Widom-Rowlinson mixture Journal of Chemical Physics. 104: 7665-7670. DOI: 10.1063/1.471474 |
0.37 |
|
| 1996 |
Khare R, De Pablo JJ, Yethiraj A. Rheology of confined polymer melts Macromolecules. 29: 7910-7918. DOI: 10.1021/Ma960083X |
0.401 |
|
| 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. DOI: 10.1063/1.469871 |
0.412 |
|
| 1995 |
Yethiraj A, Curro JG, Rajasekaran JJ. Thermodynamics and local structure of vinyl polymer melts The Journal of Chemical Physics. 103: 2229-2236. DOI: 10.1063/1.469698 |
0.426 |
|
| 1995 |
Yethiraj A, Woodward CE. Monte Carlo density functional theory of nonuniform polymer melts The Journal of Chemical Physics. 102: 5499-5505. DOI: 10.1063/1.469279 |
0.419 |
|
| 1995 |
Yethiraj A. Monte Carlo simulations for the equation of state of athermal linear alkanes The Journal of Chemical Physics. 102: 6874-6880. DOI: 10.1063/1.469125 |
0.347 |
|
| 1995 |
Singh C, Schweizer KS, Yethiraj A. Fluctuation phenomena in structurally symmetric polymer blends The Journal of Chemical Physics. 102: 2187-2208. DOI: 10.1063/1.468741 |
0.422 |
|
| 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. DOI: 10.1063/1.468735 |
0.402 |
|
| 1994 |
Yethiraj A. Monte Carlo simulation of semiflexible hard triatomic fluids Molecular Physics. 82: 957-972. DOI: 10.1080/00268979400100694 |
0.402 |
|
| 1994 |
Yethiraj A, Dickman R, Szamel G, Kierlik E, Rosinberg ML. Local structure and orientational correlations in fluids composed of linear triatomic molecules Molecular Physics. 82: 937-955. DOI: 10.1080/00268979400100684 |
0.372 |
|
| 1994 |
Yethiraj A. Effect of chain stiffness on the conformational properties, pair correlations, and equation of state of polymer melts The Journal of Chemical Physics. 101: 9104-9112. DOI: 10.1063/1.468039 |
0.435 |
|
| 1994 |
Yethiraj A. Monte Carlo simulation of confined semiflexible polymer melts The Journal of Chemical Physics. 101: 2489-2497. DOI: 10.1063/1.467688 |
0.415 |
|
| 1994 |
Grayce CJ, Yethiraj A, Schweizer KS. Liquid‐state theory of the density dependent conformation of nonpolar linear polymers The Journal of Chemical Physics. 100: 6857-6872. DOI: 10.1063/1.467045 |
0.429 |
|
| 1994 |
Woodward CE, Yethiraj A. Density functional theory for inhomogeneous polymer solutions The Journal of Chemical Physics. 100: 3181-3186. DOI: 10.1063/1.466409 |
0.402 |
|
| 1994 |
Yethiraj A, Kumar S, Hariharan A, Schweizer KS. Surface segregation in polymer blends due to stiffness disparity The Journal of Chemical Physics. 100: 4691-4694. DOI: 10.1063/1.466252 |
0.402 |
|
| 1994 |
Dickman R, Yethiraj A. Polymer-induced forces between colloidal particles. A Monte Carlo simulation The Journal of Chemical Physics. 100: 4683-4690. DOI: 10.1063/1.466251 |
0.401 |
|
| 1993 |
Yethiraj A. Local structure of tangent-hard-sphere diatomic fluids Molecular Physics. 80: 695-700. DOI: 10.1080/00268979300102561 |
0.384 |
|
| 1993 |
Yethiraj A, Hall CK. On equations of state for hard chain fluids Molecular Physics. 80: 469-477. DOI: 10.1080/00268979300102401 |
0.528 |
|
| 1993 |
Yethiraj A, Schweizer KS. Integral equation theory of polymer blends: Numerical investigation of molecular closure approximations The Journal of Chemical Physics. 98: 9080-9093. DOI: 10.1063/1.464466 |
0.41 |
|
| 1993 |
Schweizer KS, Yethiraj A. Polymer reference interaction site model theory: New molecular closures for phase separating fluids and alloys The Journal of Chemical Physics. 98: 9053-9079. DOI: 10.1063/1.464465 |
0.422 |
|
| 1993 |
Yethiraj A, Curro JG, Schweizer KS, McCoy JD. Microscopic equations of state of polyethylene: Hard‐chain contribution to the pressure The Journal of Chemical Physics. 98: 1635-1646. DOI: 10.1063/1.464280 |
0.372 |
|
| 1993 |
Curro JG, Yethiraj A, Schweizer KS, McCoy JD, Honnell KG. Microscopic equations-of-state for hydrocarbon fluids: effect of attractions and comparison with polyethylene experiments Macromolecules. 26: 2655-2662. DOI: 10.1021/Ma00063A002 |
0.396 |
|
| 1993 |
Hall C, Yethiraj A, Wichert J. Equations of state for square well chain fluids using the generalized flory approach Fluid Phase Equilibria. 83: 313-322. DOI: 10.1016/0378-3812(93)87034-X |
0.581 |
|
| 1992 |
Yethiraj A, Dickman R. Local structure of model polymeric fluids: Hard‐sphere chains and the three‐dimensional fluctuating bond model The Journal of Chemical Physics. 97: 4468-4475. DOI: 10.1063/1.463889 |
0.429 |
|
| 1992 |
Yethiraj A, Schweizer KS. On the scaling of the critical temperature with the degree of polymerization in symmetric polymer blends The Journal of Chemical Physics. 97: 5927-5930. DOI: 10.1063/1.463755 |
0.38 |
|
| 1992 |
Yethiraj A, Schweizer KS. Self‐consistent polymer integral equation theory: Comparisons with Monte Carlo simulations and alternative closure approximations The Journal of Chemical Physics. 97: 1455-1464. DOI: 10.1063/1.463221 |
0.411 |
|
| 1992 |
Yethiraj A, Hall CK. Monte Carlo simulations and integral equation theory for microscopic correlations in polymeric fluids The Journal of Chemical Physics. 96: 797-807. DOI: 10.1063/1.462465 |
0.605 |
|
| 1992 |
Yethiraj A, Honnell KG, Hall CK. Monte Carlo calculation of the osmotic second virial coefficient of off-lattice athermal polymers Macromolecules. 25: 3979-3983. DOI: 10.1021/Ma00041A021 |
0.586 |
|
| 1992 |
Yethiraj A, Hall CK, Dickman R. Interaction between colloids in solutions containing dissolved polymer Journal of Colloid and Interface Science. 151: 102-117. DOI: 10.1016/0021-9797(92)90241-D |
0.466 |
|
| 1991 |
Yethiraj A, Hall CK. Monte Carlo simulation of the equilibrium partitioning of chain fluids between a bulk and a pore Molecular Physics. 73: 503-515. DOI: 10.1080/00268979100101351 |
0.599 |
|
| 1991 |
Yethiraj A, Hall CK. Square-well diatomics: Bulk equation of state, density profiles near walls, virial coefficients and coexistence properties Molecular Physics. 72: 619-641. DOI: 10.1080/00268979100100471 |
0.575 |
|
| 1991 |
Yethiraj A, Hall CK. Integral equation theory for the adsorption of chain fluids in slitlike pores The Journal of Chemical Physics. 95: 3749-3755. DOI: 10.1063/1.461797 |
0.556 |
|
| 1991 |
Yethiraj A, Hall CK. Generalized Flory equations of state for square‐well chains The Journal of Chemical Physics. 95: 8494-8506. DOI: 10.1063/1.461279 |
0.552 |
|
| 1991 |
Yethiraj A, Hall CK. Square‐well chains: Bulk equation of state using perturbation theory and Monte Carlo simulations of the bulk pressure and of the density profiles near walls The Journal of Chemical Physics. 95: 1999-2005. DOI: 10.1063/1.460998 |
0.606 |
|
| 1991 |
Yethiraj A, Hall CK. Equations of state for star polymers The Journal of Chemical Physics. 94: 3943-3948. DOI: 10.1063/1.460671 |
0.566 |
|
| 1991 |
Yethiraj A, Hall CK. Behavior of starlike polymers between walls Macromolecules. 24: 709-713. DOI: 10.1021/Ma00003A013 |
0.573 |
|
| 1990 |
Yethiraj A, Hall CK. Local structure of fluids containing chain‐like molecules: Polymer reference interaction site model with a Yukawa closure The Journal of Chemical Physics. 93: 5315-5321. DOI: 10.1063/1.459650 |
0.594 |
|
| 1990 |
Yethiraj A, Hall CK, Honnell KG. Site–site correlations in short chain fluids The Journal of Chemical Physics. 93: 4453-4461. DOI: 10.1063/1.458728 |
0.58 |
|
| 1990 |
Yethiraj A, Hall CK. Monte-Carlo simulation of polymers confined between flat plates Macromolecules. 23: 1865-1872. DOI: 10.1021/Ma00208A052 |
0.57 |
|
| 1989 |
Yethiraj A, Hall CK. Monte Carlo simulation of hard chain–hard sphere mixtures in slitlike pores The Journal of Chemical Physics. 91: 4827-4837. DOI: 10.1063/1.456721 |
0.569 |
|
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