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CORC

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Molecular dynamics study on the stability of foot-and-mouth disease virus particle in salt solution 期刊论文
MOLECULAR SIMULATION, 2021, 页码: 8
作者:  Li, Chen;  Chen, Wei;  Lin, Xuan;  Zhang, Songping;  Wang, Yufei
收藏  |  浏览/下载：15/0  |  提交时间：2021/08/31
Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:  Abula, Amina;  Xu, Zhijian;  Zhu, Zhengdan;  Peng, Cheng;  Chen, Zhaoqiang
收藏  |  浏览/下载：24/0  |  提交时间：2021/05/24
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 卷号: 34, 期号: 5, 页码: 589-600
作者:  Sun, Zhaoxi;  He, Qiaole;  Li, Xiao;  Zhu, Zhengdan
收藏  |  浏览/下载：28/0  |  提交时间：2020/07/01
Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:  Abula, A (Abula, Amina)[ 1,2,3,4,5 ];  Xu, ZJ (Xu, Zhijian)[ 3,4,5 ];  Zhu, ZD (Zhu, Zhengdan)[ 3,4,5 ];  Peng, C (Peng, Cheng)[ 3,4,5 ];  Chen, ZQ (Chen, Zhaoqiang)[ 3,4,5 ]
收藏  |  浏览/下载：20/0  |  提交时间：2021/03/19
Exploring binding mechanisms of VEGFR2 with three drugs lenvatinib, sorafenib, and sunitinib by molecular dynamics simulation and free energy calculation 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 93, 期号: 5, 页码: 934-948
作者:  Wang, Yu;  Peng, Cheng;  Wang, Guimin;  Xu, Zhijian;  Luo, Yongfeng
收藏  |  浏览/下载：17/0  |  提交时间：2020/07/01
Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase. 期刊论文
Current computer-aided drug design, 2019
作者:  Qiu Kai-Xiong;  Zhang Wen;  Yu Fang;  Li Wei;  Sun Zhong-Wen
收藏  |  浏览/下载：31/0  |  提交时间：2019/12/04
Resistance mechanism of the oncogenic beta 3-alpha C deletion mutation in BRAF kinase to dabrafenib and vemurafenib revealed by molecular dynamics simulations and binding free energy calculations 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 93, 期号: 2, 页码: 177-187
作者:  Niu, Yuzhen;  Zhang, Yan;  Yao, Xiaojun
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
Exploring binding mechanisms of VEGFR2 with three drugs lenvatinib, sorafenib, and sunitinib by molecular dynamics simulation and free energy calculation 期刊论文
Chemical biology & drug design, 2019, 卷号: 93, 期号: 5, 页码: 934-948
作者:  Wang, Yu;  Peng, Cheng;  Wang, Guimin;  Xu, Zhijian;  Luo, Yongfeng*
收藏  |  浏览/下载：21/0  |  提交时间：2019/12/28
Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7
作者:  Yuan, Xiaojing;  Xu, Yechun
收藏  |  浏览/下载：23/0  |  提交时间：2019/01/08
Molecular docking, binding free energy analysis, and biological evaluation of bisabolonalone hydrazone carboxamides as H+,K+-ATPase reversible inhibitors 期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2018, 卷号: 27, 期号: 1, 页码: 332-340
作者:  She, Xin-Xin;  Dong, Qing;  Luo, Hua-Jun;  Wang, Jun-Zhi;  Huang, Nian-Yu
收藏  |  浏览/下载：47/0  |  提交时间：2019/06/20

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