Year |
Citation |
Score |
2023 |
Xu AY, Blanco MA, Castellanos MM, Meuse CW, Mattison K, Karageorgos I, Hatch HW, Shen VK, Curtis JE. Role of Domain-Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt. The Journal of Physical Chemistry. B. PMID 37751332 DOI: 10.1021/acs.jpcb.3c03928 |
0.645 |
|
2023 |
Krekelberg WP, Shen VK. On the virial expansion of model adsorptive systems. Molecular Physics. 120. PMID 37056949 DOI: 10.1080/00268976.2021.2000056 |
0.309 |
|
2023 |
Hatch HW, Siderius DW, Errington JR, Shen VK. Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations. The Journal of Physical Chemistry. B. 127: 3041-3051. PMID 36976615 DOI: 10.1021/acs.jpcb.3c00613 |
0.795 |
|
2022 |
Siderius DW, Hatch HW, Shen VK. Temperature Extrapolation of Henry's Law Constants and the Isosteric Heat of Adsorption. The Journal of Physical Chemistry. B. 126: 7999-8009. PMID 36170675 DOI: 10.1021/acs.jpcb.2c04583 |
0.777 |
|
2020 |
Rzepa C, Siderius DW, Hatch HW, Shen VK, Rangarajan S, Mittal J. Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 124. PMID 33643514 DOI: 10.1021/Acs.Jpcc.0C02671 |
0.791 |
|
2020 |
Monroe JI, Hatch HW, Mahynski NA, Shell MS, Shen VK. Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density. The Journal of Chemical Physics. 153: 144101. PMID 33086808 DOI: 10.1063/5.0014282 |
0.706 |
|
2020 |
Murphy RP, Hatch HW, Mahynski NA, Shen VK, Wagner NJ. Dynamic arrest of adhesive hard rod dispersions. Soft Matter. PMID 31913393 DOI: 10.1039/C9Sm01877H |
0.685 |
|
2019 |
Maula TA, Hatch HW, Shen VK, Rangarajan S, Mittal J. Designing Molecular Building Blocks for the Self-assembly of Complex Porous Networks. Molecular Systems Design & Engineering. 4. PMID 33282339 DOI: 10.1039/c9me00006b |
0.664 |
|
2019 |
Hatch HW, Hall SW, Errington JR, Shen VK. Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles. The Journal of Chemical Physics. 151: 144109. PMID 31615250 DOI: 10.1063/1.5123683 |
0.747 |
|
2019 |
Krekelberg WP, Mahynski NA, Shen VK. On the virial coefficients of confined fluids: Analytic expressions for the thermodynamic properties of hard particles with attractions in slit and cylindrical pores to second order. The Journal of Chemical Physics. 150: 044704. PMID 30709302 DOI: 10.1063/1.5063898 |
0.357 |
|
2019 |
Maula TA, Hatch HW, Shen VK, Rangarajan S, Mittal J. Designing molecular building blocks for the self-assembly of complex porous networks Molecular Systems Design & Engineering. 4: 644-653. DOI: 10.1039/C9ME00006B |
0.642 |
|
2018 |
Hatch HW, Mahynski NA, Shen VK. FEASST: Free Energy and Advanced Sampling Simulation Toolkit. Journal of Research of the National Institute of Standards and Technology. 123: 1-3. PMID 34877133 DOI: 10.6028/jres.123.004 |
0.655 |
|
2018 |
Hatch HW, Mahynski NA, Murphy RP, Blanco MA, Shen VK. Monte Carlo simulation of cylinders with short-range attractions. Aip Advances. 8: 095210. PMID 32855837 DOI: 10.1063/1.5040252 |
0.699 |
|
2018 |
Moore JD, Mountain RD, Ross RB, Shen VK, Siderius DW, Smith KD. The Ninth Industrial Fluid Properties Simulation Challenge. Fluid Phase Equilibria. 476: 1-5. PMID 30983688 DOI: 10.1016/j.fluid.2018.04.001 |
0.792 |
|
2018 |
Blanco MA, Hatch HW, Curtis JE, Shen VK. Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions. Journal of Pharmaceutical Sciences. PMID 30593783 DOI: 10.1016/J.Xphs.2018.12.013 |
0.652 |
|
2018 |
Mahynski NA, Jiao S, Hatch HW, Blanco MA, Shen VK. Predicting structural properties of fluids by thermodynamic extrapolation. The Journal of Chemical Physics. 148: 194105. PMID 30307179 DOI: 10.1063/1.5026493 |
0.717 |
|
2018 |
Blanco MA, Hatch HW, Curtis JE, Shen VK. A methodology to calculate small-angle scattering profiles of macromolecular solutions from molecular simulations in the grand-canonical ensemble. The Journal of Chemical Physics. 149: 084203. PMID 30193476 DOI: 10.1063/1.5029274 |
0.684 |
|
2018 |
Pretti E, Zerze H, Song M, Ding Y, Mahynski NA, Hatch HW, Shen VK, Mittal J. Assembly of three-dimensional binary superlattices from multi-flavored particles. Soft Matter. PMID 30014070 DOI: 10.1039/C8Sm00989A |
0.675 |
|
2018 |
Shen VK, Siderius DW, Mahynski NA. Molecular simulation of capillary phase transitions in flexible porous materials. The Journal of Chemical Physics. 148: 124115. PMID 29604881 DOI: 10.1063/1.5022171 |
0.81 |
|
2018 |
Hatch HW, Mahynski NA, Murphy RP, Blanco MA, Shen VK. Monte Carlo simulation of cylinders with short-range attractions Aip Advances. 8: 095210. DOI: 10.1063/1.5040252 |
0.682 |
|
2017 |
Mahynski NA, Errington JR, Shen VK. Multivariable extrapolation of grand canonical free energy landscapes. The Journal of Chemical Physics. 147: 234111. PMID 29272947 DOI: 10.1063/1.5006906 |
0.601 |
|
2017 |
Hatch HW, Jiao S, Mahynski NA, Blanco MA, Shen VK. Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations. The Journal of Chemical Physics. 147: 231102. PMID 29272929 DOI: 10.1063/1.5016165 |
0.699 |
|
2017 |
Siderius DW, Krekelberg WP, Chiang WS, Shen VK, Liu Y. Quasi-Two-Dimensional Phase Transition of Methane Adsorbed in Cylindrical Silica Mesopores. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29185779 DOI: 10.1021/Acs.Langmuir.7B03406 |
0.822 |
|
2017 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid-Fluid Interaction Range and Fluid-Solid Interaction Strength. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 121: 16316-16327. PMID 29170685 DOI: 10.1021/Acs.Jpcc.7B04232 |
0.812 |
|
2017 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Position-dependent dynamics explain pore-averaged diffusion in strongly attractive adsorptive systems}. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29125303 DOI: 10.1021/Acs.Langmuir.7B03401 |
0.792 |
|
2017 |
Siderius DW, Mahynski NA, Shen VK. Relationship between Pore-size Distribution and Flexibility of Adsorbent Materials: Statistical Mechanics and Future Material Characterization Techniques. Adsorption : Journal of the International Adsorption Society. 23: 593-602. PMID 28827896 DOI: 10.1007/S10450-017-9879-0 |
0.781 |
|
2017 |
Mahynski NA, Errington JR, Shen VK. Temperature extrapolation of multicomponent grand canonical free energy landscapes. The Journal of Chemical Physics. 147: 054105. PMID 28789543 DOI: 10.1063/1.4996759 |
0.549 |
|
2017 |
Mountain RD, Hatch HW, Shen VK. Molecular Dynamics Simulation of Trimer Self-Assembly Under Shear. Fluid Phase Equilibria. 440: 87-94. PMID 28736479 DOI: 10.1016/J.Fluid.2017.02.017 |
0.689 |
|
2017 |
Mahynski NA, Zerze H, Hatch HW, Shen VK, Mittal J. Assembly of multi-flavored two-dimensional colloidal crystals. Soft Matter. PMID 28702631 DOI: 10.1039/C7Sm01005B |
0.688 |
|
2017 |
Mahynski NA, Blanco MA, Errington JR, Shen VK. Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods. The Journal of Chemical Physics. 146: 074101. PMID 28228029 DOI: 10.1063/1.4975331 |
0.602 |
|
2016 |
Ross RB, Aeschliman DB, Ahmad R, Brennan JK, Brostrom ML, Frankel KA, Moore JD, Moore JD, Mountain RD, Poirier DM, Thommes M, Shen VK, Schultz NE, Siderius DW, Smith KD. Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge. Adsorption Science & Technology : Interface Science For Advanced Materials & Technologies. 34: 13-41. PMID 27840543 DOI: 10.1177/0263617415619541 |
0.793 |
|
2016 |
Schultz NE, Ahmad R, Brennan JK, Frankel KA, Moore JD, Moore JD, Mountain RD, Ross RB, Thommes M, Shen VK, Siderius DW, Smith KD. The Eighth Industrial Fluids Properties Simulation Challenge. Adsorption Science & Technology : Interface Science For Advanced Materials & Technologies. 34: 3-12. PMID 27840542 DOI: 10.1177/0263617415619521 |
0.803 |
|
2016 |
Mahynski NA, Shen VK. Multicomponent adsorption in mesoporous flexible materials with flat-histogram Monte Carlo methods. The Journal of Chemical Physics. 145: 174709. PMID 27825240 DOI: 10.1063/1.4966573 |
0.365 |
|
2016 |
Gor GY, Siderius DW, Shen VK, Bernstein N. Modulus-pressure equation for confined fluids. The Journal of Chemical Physics. 145: 164505. PMID 27802643 DOI: 10.1063/1.4965916 |
0.798 |
|
2016 |
Hatch HW, Krekelberg WP, Hudson SD, Shen VK. Depletion-driven crystallization of cubic colloids sedimented on a surface. The Journal of Chemical Physics. 144: 194902. PMID 27208969 DOI: 10.1063/1.4949758 |
0.691 |
|
2016 |
Hatch HW, Yang SY, Mittal J, Shen VK. Self-assembly of trimer colloids: effect of shape and interaction range. Soft Matter. PMID 27087490 DOI: 10.1039/C6Sm00473C |
0.693 |
|
2015 |
Gor GY, Siderius DW, Rasmussen CJ, Krekelberg WP, Shen VK, Bernstein N. Relation between pore size and the compressibility of a confined fluid. The Journal of Chemical Physics. 143: 194506. PMID 26590541 DOI: 10.1063/1.4935430 |
0.811 |
|
2015 |
Hatch HW, Mittal J, Shen VK. Computational study of trimer self-assembly and fluid phase behavior. The Journal of Chemical Physics. 142: 164901. PMID 25933785 DOI: 10.1063/1.4918557 |
0.704 |
|
2015 |
Hatch HW, Mittal J, Shen VK. Computational study of trimer self-assembly and fluid phase behavior Journal of Chemical Physics. 142. DOI: 10.1063/1.4918557 |
0.677 |
|
2014 |
Shen VK, Siderius DW. Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods. The Journal of Chemical Physics. 140: 244106. PMID 24985617 DOI: 10.1063/1.4884124 |
0.802 |
|
2014 |
Ross RB, Brennan JK, Frankel KA, Moore JD, Mountain RD, Ahmad R, Thommes M, Shen VK, Schultz NE, Siderius DW, Smith KD. Perfluorohexane adsorption in BCR-704 Faujasite zeolite benchmark studies for the seventh industrial fluid properties simulation challenge Fluid Phase Equilibria. 366: 141-145. DOI: 10.1016/J.Fluid.2013.12.025 |
0.812 |
|
2014 |
Ross RB, Ahmad R, Brennan JK, Frankel KA, Moore JD, Mountain RD, Shen VK, Schultz NE, Siderius DW, Smith KD, Thommes M. The seventh industrial fluid properties simulation challenge Fluid Phase Equilibria. 366: 136-140. DOI: 10.1016/j.fluid.2013.09.062 |
0.798 |
|
2013 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 14527-35. PMID 24160818 DOI: 10.1021/La4037327 |
0.803 |
|
2013 |
Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores Langmuir. 29: 14527-14535. DOI: 10.1021/la4037327 |
0.793 |
|
2013 |
Siderius DW, Shen VK. Use of the grand canonical transition-matrix Monte Carlo method to model gas adsorption in porous materials Journal of Physical Chemistry C. 117: 5861-5872. DOI: 10.1021/Jp400480Q |
0.805 |
|
2012 |
Siderius DW, Krekelberg WP, Roberts CJ, Shen VK. Osmotic virial coefficients for model protein and colloidal solutions: importance of ensemble constraints in the analysis of light scattering data. The Journal of Chemical Physics. 136: 175102. PMID 22583267 DOI: 10.1063/1.4709613 |
0.757 |
|
2011 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Impact of surface roughness on diffusion of confined fluids. The Journal of Chemical Physics. 135: 154502. PMID 22029319 DOI: 10.1063/1.3651478 |
0.687 |
|
2011 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Impact of surface roughness on diffusion of confined fluids Journal of Chemical Physics. 135. DOI: 10.1063/1.3651478 |
0.65 |
|
2010 |
Grzelak EM, Shen VK, Errington JR. Molecular simulation study of anisotropic wetting. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 8274-81. PMID 20218687 DOI: 10.1021/La9046897 |
0.621 |
|
2010 |
Grzelak EM, Shen VK, Errington JR. Molecular simulation study of anisotropic wetting Langmuir. 26: 8274-8281. DOI: 10.1021/la9046897 |
0.559 |
|
2009 |
Krekelberg WP, Pond MJ, Goel G, Shen VK, Errington JR, Truskett TM. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: mixtures and soft particles. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 80: 061205. PMID 20365159 DOI: 10.1103/Physreve.80.061205 |
0.705 |
|
2009 |
Pond MJ, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures. The Journal of Chemical Physics. 131: 161101. PMID 19894913 DOI: 10.1063/1.3256235 |
0.659 |
|
2009 |
Shen VK, Cheung JK, Errington JR, Truskett TM. Insights into crowding effects on protein stability from a coarse-grained model Journal of Biomechanical Engineering. 131. PMID 19640127 DOI: 10.1115/1.3127259 |
0.721 |
|
2009 |
Krekelberg WP, Pond MJ, Goel G, Shen VK, Errington JR, Truskett TM. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 80. DOI: 10.1103/PhysRevE.80.061205 |
0.74 |
|
2009 |
Goel G, Krekelberg WP, Pond MJ, Mittal J, Shen VK, Errington JR, Truskett TM. Available states and available space: Static properties that predict self-diffusivity of confined fluids Journal of Statistical Mechanics: Theory and Experiment. 2009. DOI: 10.1088/1742-5468/2009/04/P04006 |
0.748 |
|
2009 |
Pond MJ, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures Journal of Chemical Physics. 131. DOI: 10.1063/1.3256235 |
0.627 |
|
2009 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Response to "comment on 'Residual multiparticle entropy does not generally change sign near freezing' " [J. Chem. Phys. 130, 037101 (2009)] Journal of Chemical Physics. 130. DOI: 10.1063/1.3058798 |
0.64 |
|
2009 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Concentration and crowding effects on protein stability from a coarse-grained model Statistical Mechanics of Cellular Systems and Processes. 1-25. DOI: 10.1017/CBO9780511576768.002 |
0.695 |
|
2008 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Residual multiparticle entropy does not generally change sign near freezing. The Journal of Chemical Physics. 128: 161101. PMID 18447412 DOI: 10.1063/1.2916697 |
0.677 |
|
2008 |
Krekelberg WP, Shen VK, Errington JR, Truskett TM. Residual multiparticle entropy does not generally change sign near freezing Journal of Chemical Physics. 128. DOI: 10.1063/1.2916697 |
0.604 |
|
2008 |
Paluch AS, Shen VK, Errington JR. Comparing the use of Gibbs ensemble and grand-canonical transition-matrix Monte Carlo methods to determine phase equilibria Industrial and Engineering Chemistry Research. 47: 4533-4541. DOI: 10.1021/Ie800143N |
0.634 |
|
2008 |
Pond M, Goel G, Krekelberg WP, Shen VK, Errington JR, Truskett TM. Confinement effects on structure and dynamics of a supercooled hard-sphere mixture Aiche Annual Meeting, Conference Proceedings. |
0.727 |
|
2007 |
Mittal J, Shen VK, Errington JR, Truskett TM. Confinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures Journal of Chemical Physics. 127. PMID 17949179 DOI: 10.1063/1.2795699 |
0.797 |
|
2007 |
Shen VK, Mountain RD, Errington JR. Comparative study of the effect of tail corrections on surface tension determined by molecular simulation. The Journal of Physical Chemistry. B. 111: 6198-207. PMID 17497915 DOI: 10.1021/Jp070374F |
0.551 |
|
2007 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Coarse-grained strategy for modeling protein stability in concentrated solutions. III: Directional protein interactions Biophysical Journal. 92: 4316-4324. PMID 17400697 DOI: 10.1529/Biophysj.106.099085 |
0.648 |
|
2006 |
MacDowell LG, Shen VK, Errington JR. Nucleation and cavitation of spherical, cylindrical, and slablike droplets and bubbles in small systems. The Journal of Chemical Physics. 125: 34705. PMID 16863371 DOI: 10.1063/1.2218845 |
0.652 |
|
2006 |
Shen VK, Errington JR. Determination of surface tension in binary mixtures using transition-matrix Monte Carlo. The Journal of Chemical Physics. 124: 024721. PMID 16422640 DOI: 10.1063/1.2159472 |
0.59 |
|
2006 |
Shen VK, Cheung JK, Errington JR, Truskett TM. Coarse-grained strategy for modeling protein stability in concentrated solutions. II: Phase behavior Biophysical Journal. 90: 1949-1960. PMID 16387768 DOI: 10.1529/Biophysj.105.076497 |
0.659 |
|
2005 |
Errington JR, Shen VK. Direct evaluation of multicomponent phase equilibria using flat-histogram methods. The Journal of Chemical Physics. 123: 164103. PMID 16268677 DOI: 10.1063/1.2064628 |
0.592 |
|
2005 |
Shen VK, Errington JR. Determination of fluid-phase behavior using transition-matrix Monte Carlo: binary Lennard-Jones mixtures. The Journal of Chemical Physics. 122: 064508. PMID 15740389 DOI: 10.1063/1.1844372 |
0.611 |
|
2005 |
Shen VK, Errington JR. Determination of interfacial tension in binary mixtures using transition-matrix Monte Carlo Aiche Annual Meeting, Conference Proceedings. 10500. |
0.537 |
|
2005 |
Cheung JK, Shen VK, Errington JR, Truskett TM. Investigating molecular and phase stability of protein solutions by a coarse-grained modeling strategy Aiche Annual Meeting, Conference Proceedings. 600. |
0.624 |
|
2004 |
Shen VK, Errington JR. Metastability and instability in the lennard-jones fluid investigated by transition-matrix monte carlo Journal of Physical Chemistry B. 108: 19595-19606. DOI: 10.1021/Jp040218Y |
0.613 |
|
2002 |
Shen VK, Debenedetti PG, Stillinger FH. Energy landscape and isotropic tensile strength of n-alkane glasses Journal of Physical Chemistry B. 106: 10447-10459. DOI: 10.1021/Jp021247G |
0.511 |
|
2001 |
Shen VK, Debenedetti PG. Density-functional study of homogeneous bubble nucleation in the stretched Lennard-Jones fluid Journal of Chemical Physics. 114: 4149-4159. DOI: 10.1063/1.1344604 |
0.54 |
|
1999 |
Shen VK, Debenedetti PG. A computational study of homogeneous liquid-vapor nucleation in the Lennard-Jones fluid Journal of Chemical Physics. 111: 3581-3589. DOI: 10.1063/1.479639 |
0.567 |
|
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