Chengwen Liu
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Polarizable force fields for biomolecular simulations: Recent advances and applications
Z Jing, C Liu, SY Cheng, R Qi, BD Walker, JP Piquemal, P Ren
Annual Review of Biophysics 48, 371, 2019
AMOEBA+ Classical Potential for Modeling Molecular Interactions
C Liu, JP Piquemal, P Ren
Journal of Chemical Theory and Computation 15 (7), 4122, 2019
Many-body effect determines the selectivity for Ca2+ and Mg2+ in proteins
Z Jing, C Liu, R Qi, P Ren
Proceedings of the National Academy of Sciences, USA 115 (32), E7495, 2018
An optimized charge penetration model for use with the AMOEBA force field
JA Rackers, Q Wang, C Liu, JP Piquemal, P Ren, JW Ponder
Physical Chemistry Chemical Physics 19, 276, 2016
Organic semiconducting alloys with tunable energy levels
JH Dou, ZA Yu, J Zhang, YQ Zheng, ZF Yao, X Tu, Zeyi, Wang, S Huang, ...
Journal of the American Chemical Society 141 (16), 6561, 2019
From thermodynamics to kinetics: Enhanced sampling of rare events
L Yang, C Liu, Q Shao, J Zhang, YQ Gao
Accounts of Chemical Research 48 (4), 947, 2015
Implementation of geometry dependent charge flux into the polarizable AMOEBA+ potential
C Liu, JP Piquemal, P Ren
The Journal of Physical Chemistry Letters 11 (2), 419, 2020
Microsolvation of LiI and CsI in water: Anion photoelectron spectroscopy and ab initio calculations
RZ Li, C Liu, YQ Gao, H Jiang, HG Xu, WJ Zheng
Journal of the American Chemical Society 135 (13), 5190, 2013
Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field
Z Jing, R Qi, C Liu, P Ren
The Journal of Chemical Physics 147 (16), 161733, 2017
Stable salt-water cluster structures reflect the delicate competition between ion-water and water-water interactions
C Liu, F Wang, L Yang, XZ Li, WJ Zheng, YQ Gao
The Journal of Physical Chemistry B 118 (3), 743, 2014
Emergence of solvent-separated Na–Cl ion pair in salt water: Photoelectron spectroscopy and theoretical calculations
GL Hou, C Liu, RZ Li, HG Xu, YQ Gao, WJ Zheng
The Journal of Physical Chemistry Letters 8 (1), 13, 2016
High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling
TJ Inizan, F Célerse, O Adjoua, D El Ahdab, LH Jolly, C Liu, P Ren, ...
Chemical Science 12, 4889-4907, 2021
Inhibitory mechanism of Caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
Q Cao, XJ Wang, C Liu, DF Liu, LF Li, YQ Gao, XD Su
Journal of Biological Chemistry 287 (19), 15371, 2012
Automation of AMOEBA polarizable force field for small molecules: Poltype 2
B Walker, C Liu, E Wait, P Ren
Journal of Computational Chemistry 43, 1530–1542, 2022
Design of intrinsically disordered proteins that undergo phase transitions with lower critical solution temperatures
X Zeng, C Liu, MJ Fossat, P Ren, A Chilkoti, RV Pappu
APL Materials 9 (2), 021119, 2021
Thermodynamics of ion binding and occupancy in potassium channels
Z Jing, JA Rackers, LR Pratt, C Liu, S Rempe, P Ren
Chemical Science 12, 8920-8930, 2021
Elucidating the Phosphate Binding Mode of PBP: The Critical Effect of Buffer Solution
R Qi, Z Jing, C Liu, JP Piquemal, KN Dalby, P Ren
The Journal of Physical Chemistry B 122 (24), 6371, 2018
Capturing many-body interactions with classical dipole induction models
C Liu, R Qi, Q Wang, JP Piquemal, P Ren
Journal of Chemical Theory and Computation 13 (6), 2751, 2017
On the molecular mechanism of ion specific Hofmeister series
WJ Xie, C Liu, LJ Yang, YQ Gao
Science China Chemistry 57 (1), 36, 2014
A physically grounded damped dispersion model with particle mesh Ewald summation
JA Rackers, C Liu, P Ren, JW Ponder
The Journal of chemical physics 149 (8), 084115, 2018
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