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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 专题：上海药物研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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：5/0  |  提交时间：2020/07/01 atomic charge  binding-free energy  electrostatic polarization  semiempirical quantum mechanics  solvated interaction energy   differentstructuresofberberineandfiveotherprotoberberinealkaloidsthataffectpglycoproteinmediatedeffluxcapacity 期刊论文 actapharmacologicasinica, 2019, 卷号: 40, 期号: 1, 页码: 133 作者:  Zhang Yiting;  Yu Yuqi;  Yan Xiaoxia;  Wang Wenjie;  Tian Xiaoting 收藏  |  浏览/下载：26/0  |  提交时间：2020/07/01 ISOQUINOLINE ALKALOIDS  DRUG-PERMEABILITY  ESCHERICHIA-COLI  ATP HYDROLYSIS  IN-VITRO  BINDING  ABSORPTION  TRANSPORT  PHARMACOKINETICS  CACO-2  P-glycoprotein  protoberberine alkaloid  berberine  binding affinity  efflux   Structural insightsinto HIV-1 protease flap opening processes and key intermediates 期刊论文 RSC ADVANCES, 2017, 卷号: 7, 期号: 71, 页码: 45121-45128 作者:  Yu, Yuqi;  Wang, Jinan;  Chen, Zhaoqiang;  Wang, Guimin;  Shao, Qiang 收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 How Do Distance and Solvent Affect Halogen Bonding Involving Negatively Charged Donors? 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 8784-8793 作者:  Chen, Zhaoqiang;  Wang, Guimin;  Xu, Zhijian;  Wang, Jinan;  Yu, Yuqi 收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08 Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay 期刊论文 Scientific Reports, 2016, 卷号: 6 作者:  Li, Yisu;  Guo, Binbin;  Xu, Zhijian;  Li, Bo;  Cai, Tingting 收藏  |  浏览/下载：10/0  |  提交时间：2019/01/08 The effects of organic solvents on the folding pathway and associated thermodynamics of proteins: a microscopic view 期刊论文 SCIENTIFIC REPORTS, 2016, 卷号: 6 作者:  Yu, Yuqi;  Wang, Jinan;  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang 收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08 Effects of drug-resistant mutations on the dynamic properties of HIV-1 protease and inhibition by Amprenavir and Darunavir 期刊论文 SCIENTIFIC REPORTS, 2015, 卷号: 5 作者:  Yu, Yuqi;  Wang, Jinan;  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang 收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08 Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/ implicit solvent REMD simulation 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 12 作者:  Yu, Yuqi;  Wang, Jinan;  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang 收藏  |  浏览/下载：7/0  |  提交时间：2019/01/08 Reversal of P-gp and MRP1-mediated multidrug resistance by H6, a gypenoside aglycon from Gynostemma pentaphyllum, in vincristine-resistant human oral cancer (KB/VCR) cells 期刊论文 EUROPEAN JOURNAL OF PHARMACOLOGY, 2012, 卷号: 696, 期号: 1-3, 页码: 43-53 作者:  Zhu, Hengrui;  Liu, Zulong;  Tang, Lisha;  Liu, Junhua;  Zhou, Mei 收藏  |  浏览/下载：30/0  |  提交时间：2019/01/08 Gypenoside aglycon  Gynostemma pentaphyllum  Multidrug resistance (MDR)  KB/VCR cells  P-glycoprotein (P-gp)  Multidrug resistance associated protein 1 (MRP1)