Complete phase diagram for liquid–liquid phase separation of intrinsically disordered proteins J McCarty, KT Delaney, SPO Danielsen, GH Fredrickson, JE Shea The journal of physical chemistry letters 10 (8), 1644-1652, 2019 | 81 | 2019 |
An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale J McCarty, AJ Clark, J Copperman, MG Guenza The Journal of chemical physics 140 (20), 204913, 2014 | 64 | 2014 |
A variational conformational dynamics approach to the selection of collective variables in metadynamics J McCarty, M Parrinello The Journal of chemical physics 147 (20), 204109, 2017 | 61 | 2017 |
Thermodynamic consistency in variable-level coarse graining of polymeric liquids AJ Clark, J McCarty, IY Lyubimov, MG Guenza Physical review letters 109 (16), 168301, 2012 | 58 | 2012 |
Narrow equilibrium window for complex coacervation of tau and RNA under cellular conditions Y Lin, J McCarty, JN Rauch, KT Delaney, KS Kosik, GH Fredrickson, ... Elife 8, e42571, 2019 | 48 | 2019 |
Effective potentials for representing polymers in melts as chains of interacting soft particles AJ Clark, J McCarty, MG Guenza The Journal of chemical physics 139 (12), 124906, 2013 | 46 | 2013 |
Analytical rescaling of polymer dynamics from mesoscale simulations IY Lyubimov, J McCarty, A Clark, MG Guenza The Journal of chemical physics 132 (22), 224903, 2010 | 46 | 2010 |
Multiscale modeling of coarse-grained macromolecular liquids J McCarty, IY Lyubimov, MG Guenza The Journal of Physical Chemistry B 113 (35), 11876-11886, 2009 | 44 | 2009 |
Molecular design of self-coacervation phenomena in block polyampholytes SPO Danielsen, J McCarty, JE Shea, KT Delaney, GH Fredrickson Proceedings of the National Academy of Sciences 116 (17), 8224-8232, 2019 | 42 | 2019 |
Thermodynamic consistency between analytic integral equation theory and coarse-grained molecular dynamics simulations of homopolymer melts J McCarty, AJ Clark, IY Lyubimov, MG Guenza Macromolecules 45 (20), 8482-8493, 2012 | 41 | 2012 |
Effective soft-core potentials and mesoscopic simulations of binary polymer mixtures J McCarty, IY Lyubimov, MG Guenza Macromolecules 43 (8), 3964-3979, 2010 | 34 | 2010 |
Variationally optimized free-energy flooding for rate calculation J McCarty, O Valsson, P Tiwary, M Parrinello Physical review letters 115 (7), 070601, 2015 | 30 | 2015 |
Variational Flooding Study of a SN2 Reaction GM Piccini, JJ McCarty, O Valsson, M Parrinello The journal of physical chemistry letters 8 (3), 580-583, 2017 | 26 | 2017 |
Small ion effects on self-coacervation phenomena in block polyampholytes SPO Danielsen, J McCarty, JE Shea, KT Delaney, GH Fredrickson The Journal of chemical physics 151 (3), 034904, 2019 | 24 | 2019 |
Multiscale modeling of binary polymer mixtures: Scale bridging in the athermal and thermal regime J McCarty, MG Guenza The Journal of chemical physics 133 (9), 094904, 2010 | 21 | 2010 |
Accuracy, transferability, and efficiency of coarse-grained models of molecular liquids MG Guenza, M Dinpajooh, J McCarty, IY Lyubimov The Journal of Physical Chemistry B 122 (45), 10257-10278, 2018 | 17 | 2018 |
Bespoke bias for obtaining free energy differences within variationally enhanced sampling J McCarty, O Valsson, M Parrinello Journal of chemical theory and computation 12 (5), 2162-2169, 2016 | 16 | 2016 |
Effect of surfactants on surface-induced denaturation of proteins: evidence of an orientation-dependent mechanism A Arsiccio, J McCarty, R Pisano, JE Shea The Journal of Physical Chemistry B 122 (49), 11390-11399, 2018 | 13 | 2018 |
Heightened Cold-Denaturation of Proteins at the Ice–Water Interface A Arsiccio, J McCarty, R Pisano, JE Shea Journal of the American Chemical Society 142 (12), 5722-5730, 2020 | 9 | 2020 |
Searching for entropically stabilized phases: The case of silver iodide D Mendels, J McCarty, PM Piaggi, M Parrinello The Journal of Physical Chemistry C 122 (3), 1786-1790, 2018 | 8 | 2018 |