James McCarty
Title
Cited by
Cited by
Year
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
612014
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
562019
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
542012
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
522017
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
462010
Multiscale modeling of coarse-grained macromolecular liquids
J McCarty, IY Lyubimov, MG Guenza
The Journal of Physical Chemistry B 113 (35), 11876-11886, 2009
442009
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
432013
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
392012
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
362019
Effective soft-core potentials and mesoscopic simulations of binary polymer mixtures
J McCarty, IY Lyubimov, MG Guenza
Macromolecules 43 (8), 3964-3979, 2010
342010
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
292019
Variationally optimized free-energy flooding for rate calculation
J McCarty, O Valsson, P Tiwary, M Parrinello
Physical review letters 115 (7), 070601, 2015
292015
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
252017
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
202010
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
152018
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
152016
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
142019
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
92018
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
82018
Fast equilibration of coarse-grained polymeric liquids
D Ozog, J McCarty, G Gossett, AD Malony, M Guenza
Journal of computational science 9, 33-38, 2015
72015
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Articles 1–20