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Sensors (Basel, Switzerland)|December 22, 2019
A 3D Wrist Pulse Signal Acquisition System for Width Information of Pulse WaveChuanglu Chen, Zhiqiang Li, Yitao Zhang, et al.Physical Chemistry Chemical Physics : PCCP|January 5, 2022
Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulationsShanshan Liang, Xinguo Liu, Shaolong Zhang, et al.Physical Chemistry Chemical Physics : PCCP|September 9, 2022
Deciphering the binding mechanism of inhibitors of the SARS-CoV-2 main protease through multiple replica accelerated molecular dynamics simulations and free energy landscapesMeng Li, Xinguo Liu, Shaolong Zhang, et al.Physical Chemistry Chemical Physics : PCCP|October 17, 2023
Molecular insights and optimization strategies for the competitive binding of engineered ACE2 proteins: a multiple replica molecular dynamics studyJiahao Sun, Xinguo Liu, Shaolong Zhang, et al.Physical Chemistry Chemical Physics : PCCP|October 15, 2024
Accelerated molecular dynamics study of the interaction mechanism between small molecule inhibitors and phosphoglycerate mutase 1Yanqi Sun, Chaoyue Jia, Shaolong Zhang, et al.ACS Chemical Neuroscience|June 29, 2021
Binding of Inhibitors to BACE1 Affected by pH-Dependent Protonation: An Exploration from Multiple Replica Gaussian Accelerated Molecular Dynamics and MM-GBSA CalculationsJianzhong Chen, Shaolong Zhang, Wei Wang, et al.RSC Advances|May 13, 2022
Effect of double mutations T790M/L858R on conformation and drug-resistant mechanism of epidermal growth factor receptor explored by molecular dynamics simulationsFangfang Yan, Xinguo Liu, Shaolong Zhang, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2019
Revealing binding selectivity of ligands toward murine double minute 2 and murine double minute X based on molecular dynamics simulations and binding free energy calculationsShuhua Shi, Kai Sui, Weizhe Liu, et al.Scientific Reports|November 4, 2014
Revealing origin of decrease in potency of darunavir and amprenavir against HIV-2 relative to HIV-1 protease by molecular dynamics simulationsJianzhong Chen, Zhiqiang Liang, Wei Wang, et al.Journal of Biomolecular Structure & Dynamics|October 20, 2017
Computational revelation of binding mechanisms of inhibitors to endocellular protein tyrosine phosphatase 1B using molecular dynamics simulationsFangfang Yan, Xinguo Liu, Shaolong Zhang, et al.Pageof 9