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authFullName_s : Chengwen Liu

Elucidating the Phosphate Binding Mode of Phosphate-Binding Protein: The Critical Effect of Buffer Solution

Rui R. Qi , Zhifeng F Jing , Chengwen Liu , Jean-Philip Piquemal , Kevin Dalby , et al.
Journal of Physical Chemistry B, 2018, 122 (24), pp.6371-6376. ⟨10.1021/acs.jpcb.8b03194⟩
Journal articles hal-02126853v1

An Optimized Charge Penetration Model for Use with the AMOEBA Force Field

Joshua A. Rackers , Qiantao Wang , Chengwen Liu , Jean-Philip Piquemal , Pengyu Ren , et al.
Physical Chemistry Chemical Physics, 2017, ⟨10.1039/C6CP06017J⟩
Journal articles hal-01405847v1

Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface

Dina El Ahdab , Louis Lagardère , Theo Jaffrelot Inizan , Frédéric Célerse , Chengwen Liu , et al.
Journal of Physical Chemistry Letters, 2021, 12, pp.6218-6226. ⟨10.1021/acs.jpclett.1c01460⟩
Journal articles hal-03220156v1

Capturing Many-Body Interactions with Classical Dipole Induction Models

Chengwen Liu , Rui R. Qi , Qiantao Qi , J.-P. Piquemal , Pengyu Ren
Journal of Chemical Theory and Computation, 2017, 13 (6), pp.2751-2761. ⟨10.1021/acs.jctc.7b00225⟩
Journal articles hal-02126842v1

Implementation of Geometry Dependent Charge Flux into Polarizable AMOEBA+ Potential

Chengwen Liu , Jean-Philip Piquemal , Pengyu Ren
Journal of Physical Chemistry Letters, 2020, 11 (2), pp.419-426. ⟨10.1021/acs.jpclett.9b03489⟩
Journal articles hal-02410854v1
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Polarizable force fields for biomolecular simulations: Recent advances and applications

Zhifeng F Jing , Chengwen Liu , Sara y Cheng , Rui Qi , Brandon D Walker , et al.
Annual Reviews of Biophysics, 2019, 48, pp.371-394. ⟨10.1146/annurev-biophys-070317-033349⟩
Journal articles hal-01821899v1
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High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

Théo Jaffrelot Inizan , Frederic Célerse , Olivier Adjoua , Dina El Ahdab , Luc-Henri Jolly , et al.
Chemical Science, 2021, 12 (13), pp.4889-4907. ⟨10.1039/D1SC00145K⟩
Journal articles hal-02943694v1

AMOEBA+ Classical Potential for Modeling Molecular Interactions

Chengwen Liu , Jean-Philip Piquemal , Pengyu Ren
Journal of Chemical Theory and Computation, 2019, ⟨10.1021/acs.jctc.9b00261⟩
Journal articles hal-02142886v1