Articles avec mandats d'accès public - Chengwen LiuEn savoir plus
2 articles dont l'importation est refusée
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
Exigences : Chinese Academy of Sciences, National Natural Science Foundation of China
Auteurs responsables : J Pei
Three-site and five-site fixed-charge water models compatible with AMOEBA force field
C Pan, C Liu, J Peng, P Ren, X Huang
Journal of Computational Chemistry 41, 1034, 2020
Exigences : Research Grants Council, Hong Kong
Auteurs responsables : X Huang
Disponibles quelque part : 32
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
Exigences : US National Institutes of Health
AMOEBA+ Classical Potential for Modeling Molecular Interactions
C Liu, JP Piquemal, P Ren
Journal of Chemical Theory and Computation 15 (7), 4122, 2019
Exigences : US National Institutes of Health
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
Exigences : US National Institutes of Health
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
Exigences : US National Institutes of Health
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
Exigences : National Natural Science Foundation of China
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
Exigences : US National Science Foundation, US National Institutes of Health, European …
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
Exigences : US National Institutes of Health
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
Exigences : Chinese Academy of Sciences, National Natural Science Foundation of China
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
Exigences : US National Institutes of Health, European Commission, Agence Nationale de …
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
Exigences : US National Science Foundation, US National Institutes of Health, Cancer …
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
Exigences : US National Science Foundation, US Department of Energy, US National …
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
Exigences : US National Science Foundation, US National Institutes of Health, Human …
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
Exigences : US National Institutes of Health
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
Exigences : US National Institutes of Health, National Natural Science Foundation of China
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
Exigences : US National Science Foundation, US National Institutes of Health
Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface
D El Ahdab, L Lagardère, TJ Inizan, F Célerse, C Liu, O Adjoua, LH Jolly, ...
Journal of Physical Chemistry Letters 12, 6218, 2021
Exigences : US National Science Foundation, US National Institutes of Health, European …
Photoelectron spectroscopy and ab initio calculations of Li(H2O)n and Cs(H2O)n clusters
Z Zeng, C Liu, GL Hou, G Feng, HG Xu, YQ Gao, WJ Zheng
The Journal of Physical Chemistry A 119 (12), 2845, 2015
Exigences : Chinese Academy of Sciences, National Natural Science Foundation of China
Atomic Polarizabilities for Interactive Dipole Induction Models
JM Litman#, C Liu#, P Ren
Journal of Chemical Information and Modeling 62 (1), 79–87, 2021
Exigences : US National Science Foundation, US National Institutes of Health, Cancer …
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