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Frontiers in Chemistry|August 27, 2019
Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit WaterLili Duan, Xiaona Guo, Yalong Cong, et al.Journal of the American Chemical Society|March 23, 2010
Electrostatic polarization makes a substantial contribution to the free energy of avidin-biotin bindingYan Tong, Ye Mei, Yong L Li, et al.Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi = Zhonghua Laodong Weisheng Zhiyebing Zazhi = Chinese Journal of Industrial Hygiene and Occupational Diseases|November 15, 2019
[Study on lung injury induced by subchronic exposure to crotonaldehyde in male rats]S S Li, B Zhang, S M Zhang, et al.The Journal of Physical Chemistry Letters|June 27, 2022
Immune Escape Mechanisms of SARS-CoV-2 Delta and Omicron Variants against Two Monoclonal Antibodies That Received Emergency Use AuthorizationDanyang Xiong, Xiaoyu Zhao, Song Luo, et al.Molecules (Basel, Switzerland)|March 29, 2023
Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric AugmentationXiao Liu, Lei Zheng, Chu Qin, et al.Chemical Biology & Drug Design|April 27, 2021
Analysis of the binding modes of the first- and second-generation antiandrogens with respect to F876L mutationGuangfeng Shao, Jingxiao Bao, Xiaolin Pan, et al.The Journal of Chemical Physics|October 16, 2007
Quantum study of HIV-1 protease-bridge water interactionLi L Duan, Yan Tong, Ye Mei, et al.Methods (San Diego, Calif.)|March 22, 2024
Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitorsWei Xia, Jin Xiao, Hengwei Bian, et al.Journal of Chemical Information and Modeling|June 29, 2026
FragScan: A Quantitative Fragment Scanning Strategy for Rational Drug DiscoveryXiao Liu, Xue Wu, Ran Chang, et al.Physical Chemistry Chemical Physics : PCCP|September 17, 2019
Drug-resistance mechanisms of three mutations in anaplastic lymphoma kinase against two inhibitors based on MM/PBSA combined with interaction entropyZhengrong Xiao, Yalong Cong, Kaifang Huang, et al.Pageof 82