Amyloid oligomers: A joint experimental/computational perspective on Alzheimer’s disease, Parkinson’s disease, type II diabetes, and amyotrophic lateral sclerosis PH Nguyen, A Ramamoorthy, BR Sahoo, J Zheng, P Faller, JE Straub, ... Chemical reviews 121 (4), 2545-2647, 2021 | 493 | 2021 |
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 | 241 | 2019 |
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 | 146 | 2019 |
A variational conformational dynamics approach to the selection of collective variables in metadynamics J McCarty, M Parrinello The Journal of chemical physics 147 (20), 2017 | 125 | 2017 |
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 | 112 | 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), 2014 | 81 | 2014 |
The proline-rich domain promotes Tau liquid–liquid phase separation in cells X Zhang, M Vigers, J McCarty, JN Rauch, GH Fredrickson, MZ Wilson, ... The Journal of Cell Biology 219 (11), 2020 | 80 | 2020 |
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 | 80 | 2020 |
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 | 70 | 2012 |
Analytical rescaling of polymer dynamics from mesoscale simulations IY Lyubimov, J McCarty, A Clark, MG Guenza The Journal of chemical physics 132 (22), 2010 | 59 | 2010 |
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), 2019 | 58 | 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), 2013 | 54 | 2013 |
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 | 46 | 2018 |
Variationally optimized free-energy flooding for rate calculation J McCarty, O Valsson, P Tiwary, M Parrinello Physical review letters 115 (7), 070601, 2015 | 46 | 2015 |
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 | 46 | 2012 |
Multiscale modeling of coarse-grained macromolecular liquids J McCarty, IY Lyubimov, MG Guenza The Journal of Physical Chemistry B 113 (35), 11876-11886, 2009 | 45 | 2009 |
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 | 41 | 2018 |
Effective soft-core potentials and mesoscopic simulations of binary polymer mixtures J McCarty, IY Lyubimov, MG Guenza Macromolecules 43 (8), 3964-3979, 2010 | 36 | 2010 |
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 | 34 | 2017 |
Insight into seeded tau fibril growth from molecular dynamics simulation of the Alzheimer’s disease protofibril core C Leonard, C Phillips, J McCarty Frontiers in molecular biosciences 8, 624302, 2021 | 22 | 2021 |