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Jing Huang
Jing Huang
Associate Professor, Westlake University
Verified email at westlake.edu.cn - Homepage
Title
Cited by
Cited by
Year
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL De Groot, ...
Nature methods 14 (1), 71-73, 2017
44162017
CHARMM36 all‐atom additive protein force field: Validation based on comparison to NMR data
J Huang, AD MacKerell Jr
Journal of computational chemistry 34 (25), 2135-2145, 2013
31232013
An empirical polarizable force field based on the classical drude oscillator model: development history and recent applications
JA Lemkul, J Huang, B Roux, AD MacKerell Jr
Chemical reviews 116 (9), 4983-5013, 2016
5582016
AXL is a candidate receptor for SARS-CoV-2 that promotes infection of pulmonary and bronchial epithelial cells
S Wang, Z Qiu, Y Hou, X Deng, W Xu, T Zheng, P Wu, S Xie, W Bian, ...
Cell research, 1-15, 2021
4482021
Polarizable force field for peptides and proteins based on the classical drude oscillator
PEM Lopes, J Huang, J Shim, Y Luo, H Li, B Roux, AD MacKerell Jr
Journal of chemical theory and computation 9 (12), 5430-5449, 2013
4142013
Force field development and simulations of intrinsically disordered proteins
J Huang, AD MacKerell Jr
Current opinion in structural biology 48, 40-48, 2018
1602018
Recent advances in polarizable force fields for macromolecules: microsecond simulations of proteins using the classical Drude oscillator model
J Huang, PEM Lopes, B Roux, AD MacKerell Jr
The journal of physical chemistry letters 5 (18), 3144-3150, 2014
160*2014
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks
J Huang, JA Lemkul, PK Eastman, AD MacKerell Jr
Journal of computational chemistry 39 (21), 1682-1689, 2018
982018
Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA) 3 peptide
J Huang, AD MacKerell
Biophysical journal 107 (4), 991-997, 2014
852014
Machine-learning-assisted free energy simulation of solution-phase and enzyme reactions
X Pan, J Yang, R Van, E Epifanovsky, J Ho, J Huang, J Pu, Y Mei, K Nam, ...
Journal of chemical theory and computation 17 (9), 5745-5758, 2021
722021
Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II
KM Varney, AMJJ Bonvin, M Pazgier, J Malin, W Yu, E Ateh, T Oashi, ...
PLoS pathogens 9 (11), e1003732, 2013
712013
CHARMM36: An improved force field for folded and intrinsically disordered proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ...
Biophysical Journal 112 (3), 175a-176a, 2017
682017
Further optimization and validation of the classical drude polarizable protein force field
FY Lin, J Huang, P Pandey, C Rupakheti, J Li, B Roux, AD MacKerell Jr
Journal of chemical theory and computation 16 (5), 3221-3239, 2020
642020
Infrared and near-infrared spectroscopy of acetylacetone and hexafluoroacetylacetone
DL Howard, HG Kjaergaard, J Huang, M Meuwly
The Journal of Physical Chemistry A 119 (29), 7980-7990, 2015
612015
Comparison of additive and polarizable models with explicit treatment of long-range Lennard-Jones interactions using alkane simulations
AN Leonard, AC Simmonett, FC Pickard IV, J Huang, RM Venable, ...
Journal of chemical theory and computation 14 (2), 948-958, 2018
552018
Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence
X Chi, X Jin, Y Chen, X Lu, X Tu, X Li, Y Zhang, J Lei, J Huang, Z Huang, ...
Cell discovery 6 (1), 55, 2020
542020
Mapping the Drude polarizable force field onto a multipole and induced dipole model
J Huang, AC Simmonett, FC Pickard, AD MacKerell, BR Brooks
The Journal of chemical physics 147 (16), 2017
532017
Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2 (1 H)-one System
U Gellrich, J Huang, W Seiche, M Keller, M Meuwly, B Breit
Journal of the American Chemical Society, 2011
512011
Scan and unlock: a programmable DNA molecular automaton for cell‐selective activation of ligand‐based signaling
J Zhang, Z Qiu, J Fan, F He, W Kang, S Yang, HH Wang, J Huang, Z Nie
Angewandte Chemie 133 (12), 6807-6817, 2021
442021
Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations
J Huang, M Buchowiecki, T Nagy, J Vaníček, M Meuwly
Physical Chemistry Chemical Physics 16 (1), 204-211, 2014
422014
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Articles 1–20