Jing Huang
Jing Huang
Assistant Professor at Westlake University
Verified email at westlake.edu.cn - Homepage
Title
Cited by
Cited by
Year
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
12012013
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
11782017
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
2952013
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
2642016
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
102*2014
Force field development and simulations of intrinsically disordered proteins
J Huang, AD MacKerell Jr
Current opinion in structural biology 48, 40-48, 2018
692018
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
552014
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 Pathog 9 (11), e1003732, 2013
552013
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
422018
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
412015
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
412011
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
352014
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
282018
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
282017
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
252015
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
202017
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
202016
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
172018
Explicit Hydrogen-Bond Potentials and Their Application to NMR Scalar Couplings in Proteins
J Huang, M Meuwly
Journal of Chemical Theory and Computation 6 (2), 467-476, 2010
172010
Hydrogen-Bond and Solvent Dynamics in Transition Metal Complexes: A Combined Simulation and NMR-Investigation
J Huang, D Häussinger, U Gellrich, W Seiche, B Breit, M Meuwly
The Journal of Physical Chemistry B, 2012
162012
The system can't perform the operation now. Try again later.
Articles 1–20