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浏览/检索结果: 共35条，第1-10条 帮助

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Which species does the virus like most: Binding modes study between SARS-CoV-2 S protein and ACE2 receptor 期刊论文  OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 105, 页码: 107893
作者:  Guo,Sheng;  Yang,Jing;  Lei,Yu;  Liu,Bin;  Zhang,Wei
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Mechanistic in silico modeling of bisphenols to predict estrogen and glucocorticoid disrupting potentials 期刊论文  OAI收割
SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 728, 页码: 1-11
作者:  Chen, Qinchang;  Zhou, Chengzhuo;  Shi, Wei;  Wang, Xiaoxiang;  Xia, Pu
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SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations 期刊论文  OAI收割
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
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Improving the accuracy of predicting protein-ligand binding-free energy with semiempirical quantum chemistry charge 期刊论文  OAI收割
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
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Molecular docking, binding free energy analysis, and biological evaluation of bisabolonalone hydrazone carboxamides as H+,K+-ATPase reversible inhibitors 期刊论文  OAI收割
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
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Structural insight into precursor tRNA processing by yeast ribonuclease P 期刊论文  OAI收割
SCIENCE, 2018, 卷号: 362, 期号: 6415, 页码: 657-+
作者:  Lan, Pengfei;  Chen, Juan;  Shi, Shaohua;  Wu, Jian;  Lei, Ming
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Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies 期刊论文  OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun
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A salt-bridge switch in the molecular recognition between RS receptor and RGD ligand from the ABEEM sigma pi molecular dynamics simulations 期刊论文  OAI收割
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1045-1055
作者:  Yu, Ling
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Molecular docking for drug discovery and development: a widely used approach but far from perfect 期刊论文  OAI收割
FUTURE MEDICINAL CHEMISTRY, 2016, 卷号: 8, 期号: 14
作者:  Wang, Guimin;  Zhu, Weiliang
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Simulation of coupled folding and binding of an intrinsically disordered protein in explicit solvent with metadynamics 期刊论文  OAI收割
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2016, 卷号: 68, 期号: JULY, 页码: 114-127
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying;  Li, Jinghai
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