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浏览/检索结果: 共7条，第1-7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：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8 作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang 收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01 adaptive steered molecular dynamics (ASMD)  binding affinity  HIV-1 protease  semi-empirical quantum mechanics   Inhibitory efficacy of bufadienolides on Na,K-pump activity versus cell proliferation 期刊论文 Biochemistry and biophysics reports, 2016, 卷号: 6, 页码: 158-164 作者:  Xu, Yinfang;  Liu, Xuan;  Schwarz, Silvia;  Hu, Lihong;  Guo, Dean 收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08 Simultaneous high-throughput determination of interaction kinetics for drugs and cyclodextrins by high performance affinity chromatography with mass spectrometry detection 期刊论文 ANALYTICA CHIMICA ACTA, 2016, 卷号: 909, 页码: 75-83 作者:  Wang, Caifen;  Wang, Xiaobo;  Xu, Xiaonan;  Liu, Botao;  Xu, Xu 收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08 Cyclodextrin supramolecular systems  High performance affinity chromatography with mass spectrometry detection  High-throughput quantifying  Interactions kinetics   Thermodynamics calculation of protein- ligand interactions by QM/ MM polarizable charge parameters 期刊论文 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2016, 卷号: 34, 期号: 1, 页码: 163-176 作者:  Wang, Jinan;  Shao, Qiang;  Cossins, Benjamin P.;  Shi, Jiye;  Chen, Kaixian 收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08 QM/MM  binding free energy calculation  MM/GBSA calculation  electrostatic interaction  drug design   Determination of the interaction kinetics between meloxicam and beta-cyclodextrin using the quantitative high-performance affinity chromatography coupled with mass spectrometry 期刊论文 Acta Pharmaceutica Sinica, 2015, 卷号: 50, 期号: 9, 页码: 1167-1173 作者:  Wang Caifen;  Li Zhuo;  Wang Xiaobo;  Li Haiyan;  Zhang Jiwen 收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08 quantitative high performance affinity chromatography-mass spectrometry  meloxicam  beta- cyclodextrin  dissociation rate constant   Nuclear Magnetic Resonance Studies on Interactions of Berberine and Bovine Serum Albumin 期刊论文 CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2011, 卷号: 39, 期号: 8, 页码: 1223-1227 作者:  Wu Li-Min;  Zhang Mei-Ling;  Lou Yi-Yi;  Li Yang;  Zhao Liang-Cai 收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08 Nuclear magnetic resonance(NMR)  Berberine  Bovine serum albumin  Relaxation time  Self-diffusion coefficient   Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched? 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2011, 卷号: 51, 期号: 2, 页码: 386-397 作者:  Shen, Qiancheng;  Xiong, Bing;  Zheng, Mingyue;  Luo, Xiaomin;  Luo, Cheng 收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08