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CORC

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Molecular simulation studies of the interactions between the human/ pangolin/cat/bat ACE2 and the receptor binding domain of the SARS-CoV-2 spike protein 期刊论文
BIOCHIMIE, 2021, 卷号: 187, 页码: 1-13
作者:  Ma, Shaojie;  Li, Hui;  Yang, Jun;  Yu, Kunqian
收藏  |  浏览/下载：69/0  |  提交时间：2021/08/17
Molecular Dynamics Simulations Based on 1-Phenyl-4-Benzoyl-1-Hydro-Triazole ERR alpha Inverse Agonists 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 卷号: 22, 期号: 7, 页码: 14
作者:  Gao, Zhipei;  Du, Yongli;  Sheng, Xiehuang;  Shen, Jingkang
收藏  |  浏览/下载：26/0  |  提交时间：2021/05/24
三氟甲基取代对化合物活性影响的统计及计算化学研究 学位论文
中国科学院新疆理化技术研究所: 中国科学院大学, 2021
作者:  阿米娜·阿不拉
收藏  |  浏览/下载：35/0  |  提交时间：2021/08/27
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：26/0  |  提交时间：2021/05/24
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：21/0  |  提交时间：2021/03/19
Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 10, 页码: 4303-4318
作者:  Chen, Jianzhong;  Wang, Jinan;  Yin, Baohua;  Pang, Laixue;  Wang, Wei
收藏  |  浏览/下载：116/0  |  提交时间：2020/07/01
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：18/0  |  提交时间：2020/07/01
Improving the accuracy of predicting protein-ligand binding-free energy with semiempirical quantum chemistry charge 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 4, 页码: 303-321
作者:  Peng, Cheng;  Wang, Jinan;  Yu, Yuqi;  Wang, Guimin;  Chen, Zhaoqiang
收藏  |  浏览/下载：3/0  |  提交时间：2020/07/01
Insight into ponatinib resistance mechanisms in rhabdomyosarcoma caused by the mutations in FGFR4 tyrosine kinase using molecular modeling strategies 期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2019, 卷号: 135, 页码: 294-302
作者:  Wu, Chao;  Chen, Xiaolu;  Chen, Daoxing;  Xia, Qinqin;  Liu, Zhiguo
收藏  |  浏览/下载：19/0  |  提交时间：2019/12/11
Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 10, 页码: 4303-4318
作者:  Chen, Jianzhong;  Wang, Jinan;  Yin, Baohua;  Pang, Laixue;  Wang, Wei
收藏  |  浏览/下载：16/0  |  提交时间：2019/12/11

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