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The Journal of Physical Chemistry. B|January 10, 2016
Coarse-Grained Model for Water Involving a Virtual SiteMingsen Deng, Hujun ShenJournal of Molecular Graphics & Modelling|September 19, 2017
Effects of mutations on active site conformation and dynamics of RNA-dependent RNA polymerase from Coxsackievirus B3Hujun Shen, Mingsen Deng, Yachao ZhangJournal of Computational Chemistry|March 8, 2017
Extension of CAVS coarse-grained model to phospholipid membranes: The importance of electrostaticsHujun Shen, Mingsen Deng, Yachao ZhangPhysical Chemistry Chemical Physics : PCCP|January 22, 2025
Revisiting the in-plane and in-channel diffusion of lithium ions in a solid-state electrolyte at room temperature through neural network-assisted molecular dynamics simulationsYao Huang, Dan Zhao, Mingsen Deng, et al.The Journal of Physical Chemistry Letters|January 6, 2022
Second-Order Nonlinear Optics Response of the Boron-Dipyrromethenes-Based Mislinked Expanded Porphyrins: Revealing the Role of the -BF<sub>2</sub> GroupBo Li, Hujun Shen, Mingsen Deng, et al.The Journal of Chemical Physics|February 19, 2026
Mechanisms of free O-H relaxation at the air-water interface revealed by machine learning-accelerated molecular dynamics simulationHujun Shen, Ling Chen, Hengxiu Yang, et al.Physical Chemistry Chemical Physics : PCCP|September 3, 2022
An intramolecular-locked strategy for designing nonlinear optical materials with remarkable first hyperpolarizabilityBo Li, Tiejun Xiao, Hujun Shen, et al.Langmuir : the ACS Journal of Surfaces and Colloids|August 3, 2019
Effect of Cholesterol and 6-Ketocholestanol on Membrane Dipole Potential and Sterol Flip-Flop Motion in Bilayer MembranesHujun Shen, Zhenhua Wu, Kun Zhao, et al.ACS Omega|November 23, 2020
Hybrid Density Functional Theory Study of Native Defects and Nonmetal (C, N, S, and P) Doping in a Bi<sub>2</sub>WO<sub>6</sub> PhotocatalystJihua Zhang, Panluo Deng, Mingsen Deng, et al.Physical Chemistry Chemical Physics : PCCP|November 3, 2020
Effects of native defects and cerium impurity on the monoclinic BiVO<sub>4</sub> photocatalyst obtained via PBE+U calculationsJihua Zhang, Xia Chen, MingSen Deng, et al.Pageof 9