Jing Huang
Jing Huang
Assistant 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
17202017
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
15862013
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
3272016
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
3252013
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
118*2014
Force field development and simulations of intrinsically disordered proteins
J Huang, AD MacKerell Jr
Current opinion in structural biology 48, 40-48, 2018
982018
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
922021
Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA) 3 peptide
J Huang, AD MacKerell Jr
Biophysical journal 107 (4), 991-997, 2014
662014
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
602013
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
542018
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
442015
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
432011
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
392018
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
362014
Mapping the Drude polarizable force field onto a multipole and induced dipole model
J Huang, AC Simmonett, FC Pickard IV, AD MacKerell Jr, BR Brooks
The Journal of chemical physics 147 (16), 161702, 2017
312017
Conformational heterogeneity of the HIV envelope glycan shield
M Yang, J Huang, R Simon, LX Wang, AD MacKerell
Scientific reports 7 (1), 1-15, 2017
292017
Enhanced conformational sampling using replica exchange with concurrent solute scaling and Hamiltonian biasing realized in one dimension
M Yang, J Huang, AD MacKerell Jr
Journal of chemical theory and computation 11 (6), 2855-2867, 2015
292015
CHARMM36: An improved force field for folded and intrinsically disordered proteins.
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ...
61st Annual Meeting of the Biophysical-Society, 175a-176a, 2017
262017
A comparison of QM/MM simulations with and without the Drude oscillator model based on hydration free energies of simple solutes
G König, FC Pickard, J Huang, W Thiel, AD MacKerell, BR Brooks, ...
Molecules 23 (10), 2695, 2018
242018
Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in …
G König, FC Pickard, J Huang, AC Simmonett, F Tofoleanu, J Lee, ...
Journal of computer-aided molecular design 30 (11), 989-1006, 2016
212016
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