Suivre
Chengwen Liu
Titre
Citée par
Citée par
Année
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
3452019
AMOEBA+ Classical Potential for Modeling Molecular Interactions
C Liu, JP Piquemal, P Ren
Journal of Chemical Theory and Computation 15 (7), 4122, 2019
1212019
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
882018
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
882016
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
712019
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
662015
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
632020
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
612013
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
592017
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
492014
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
442016
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
392021
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
362012
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
352022
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
322021
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
312021
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
292018
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
292017
On the molecular mechanism of ion specific Hofmeister series
WJ Xie, C Liu, LJ Yang, YQ Gao
Science China Chemistry 57 (1), 36, 2014
272014
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
242018
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