Bottom-up coarse-graining: Principles and perspectives J Jin, AJ Pak, AEP Durumeric, TD Loose, GA Voth Journal of chemical theory and computation 18 (10), 5759-5791, 2022 | 124 | 2022 |
Extending the range and physical accuracy of coarse-grained models: Order parameter dependent interactions JW Wagner, T Dannenhoffer-Lafage, J Jin, GA Voth The Journal of chemical physics 147 (4), 2017 | 69 | 2017 |
Understanding missing entropy in coarse-grained systems: Addressing issues of representability and transferability J Jin, AJ Pak, GA Voth The journal of physical chemistry letters 10 (16), 4549-4557, 2019 | 65 | 2019 |
The theory of ultra-coarse-graining. 3. Coarse-grained sites with rapid local equilibrium of internal states JF Dama*, J Jin*, GA Voth Journal of chemical theory and computation 13 (3), 1010-1022, 2017 | 61 | 2017 |
Ultra-coarse-grained models allow for an accurate and transferable treatment of interfacial systems J Jin, GA Voth Journal of chemical theory and computation 14 (4), 2180-2197, 2018 | 60 | 2018 |
Mechanisms underlying the Mpemba effect in water from molecular dynamics simulations J Jin, WA Goddard III The Journal of Physical Chemistry C 119 (5), 2622-2629, 2015 | 51 | 2015 |
Temperature and phase transferable bottom-up coarse-grained models J Jin, A Yu, GA Voth Journal of chemical theory and computation 16 (11), 6823-6842, 2020 | 45 | 2020 |
Atomic-scale characterization of mature HIV-1 capsid stabilization by inositol hexakisphosphate (IP6) A Yu, EMY Lee, J Jin, GA Voth Science Advances 6 (38), eabc6465, 2020 | 33 | 2020 |
Constructing many-body dissipative particle dynamics models of fluids from bottom-up coarse-graining Y Han*, J Jin*, GA Voth The Journal of Chemical Physics 154 (8), 084122, 2021 | 30 | 2021 |
Coarse-grained simulation of full-length integrin activation TC Bidone, A Polley*, J Jin*, T Driscoll, DV Iwamoto, DA Calderwood, ... Biophysical Journal 116 (6), 1000-1010, 2019 | 28 | 2019 |
A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and model J Jin, Y Han, AJ Pak, GA Voth The Journal of Chemical Physics 154 (4), 2021 | 27 | 2021 |
Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship J Jin, KS Schweizer, GA Voth The Journal of Chemical Physics 158 (3), 2023 | 24 | 2023 |
Coarse-graining involving virtual sites: Centers of symmetry coarse-graining J Jin, Y Han, GA Voth The Journal of Chemical Physics 150 (15), 2019 | 24 | 2019 |
Ultra-coarse-grained liquid state models with implicit hydrogen bonding J Jin, Y Han, GA Voth Journal of Chemical Theory and Computation 14 (12), 6159-6174, 2018 | 24 | 2018 |
A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature J Jin, AJ Pak, Y Han, GA Voth The Journal of Chemical Physics 154 (4), 2021 | 22 | 2021 |
OpenMSCG: A software tool for bottom-up coarse-graining Y Peng, AJ Pak, AEP Durumeric, PG Sahrmann, S Mani, J Jin, TD Loose, ... The Journal of Physical Chemistry B 127 (40), 8537-8550, 2023 | 15 | 2023 |
Quantum theory of multiscale coarse-graining Y Han, J Jin, JW Wagner, GA Voth The Journal of Chemical Physics 148 (10), 2018 | 14 | 2018 |
Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory J Jin, KS Schweizer, GA Voth The Journal of Chemical Physics 158 (3), 2023 | 13 | 2023 |
Optical nature and binding energetics of fluorescent fluoride sensor bis (bora) calix [4] arene and design strategies of its homologues J Jin, JY Park, YS Lee The Journal of Physical Chemistry C 120 (42), 24324-24334, 2016 | 11 | 2016 |
Correction to The Theory of Ultra-Coarse-Graining. 3. Coarse-Grained Sites with Rapid Local Equilibrium of Internal States JF Dama*, J Jin*, GA Voth Journal of chemical theory and computation 14 (4), 2288-2288, 2018 | 7 | 2018 |