Chengwen Liu
TitreCitée parAnnée
From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events
L Yang, CW Liu, Q Shao, J Zhang, YQ Gao
Accounts of Chemical Research 48 (4), 947, 2015
412015
Microsolvation of LiI and CsI in water: Anion photoelectron spectroscopy and ab initio calculations
RZ Li, CW Liu, YQ Gao, H Jiang, HG Xu, WJ Zheng
Journal of the American Chemical Society 135 (13), 5190, 2013
372013
Stable salt-water cluster structures reflect the delicate competition between ion-water and water-water interactions
CW Liu, F Wang, L Yang, XZ Li, WJ Zheng, YQ Gao
The Journal of Physical Chemistry B 118 (3), 743, 2014
282014
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
252016
Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
Q Cao, XJ Wang, CW Liu, DF Liu, LF Li, YQ Gao, XD Su
Journal of Biological Chemistry 287 (19), 15371, 2012
242012
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
232019
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
172017
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 115 (32), E7495, 2018
162018
AMOEBA+ Classical Potential for Modeling Molecular Interactions
C Liu, JP Piquemal, P Ren
Journal of Chemical Theory and Computation 15 (7), 4122, 2019
122019
On the molecular mechanism of ion specific Hofmeister series
WJ Xie, CW Liu, LJ Yang, YQ Gao
Science China Chemistry 57 (1), 36, 2014
122014
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
112017
Emergence of Solvent-Separated NaCl Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations
GL Hou, CW Liu, RZ Li, HG Xu, YQ Gao, WJ Zheng
The Journal of Physical Chemistry Letters 8 (1), 13, 2016
112016
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
102019
Photoelectron Spectroscopy and ab initio Calculations of Li(H2O)n– and Cs(H2O)n–(n=1–6) Clusters
Z Zeng, CW Liu, GL Hou, G Feng, HG Xu, YQ Gao, WJ Zheng
The Journal of Physical Chemistry A 119 (12), 2845, 2015
102015
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
92018
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
62018
Adsorption of water molecules on sodium chloride trimer
CW Liu, GL Hou, WJ Zheng, YQ Gao
Theoretical Chemistry Accounts 133 (10), 1-10, 2014
62014
Understanding the microsolvation of salts in molecular clusters
CW Liu, YQ Gao
International Journal of Quantum Chemistry 115 (9), 541, 2015
52015
Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations
RZ Li, GL Hou, CW Liu, HG Xu, X Zhao, YQ Gao, WJ Zheng
Physical Chemistry Chemical Physics 18 (1), 557, 2016
42016
Molecular dynamics simulation, ab initio calculation, and size-selected anion photoelectron spectroscopy study of initial hydration processes of calcium chloride
Z He, G Feng, B Yang, L Yang, CW Liu, HG Xu, XL Xu, WJ Zheng, YQ Gao
The Journal of Chemical Physics 148 (22), 222839, 2018
22018
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