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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：昆明植物研究所    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 Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176 作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping 收藏  |  浏览/下载：65/0  |  提交时间：2019/07/29 Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator   Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60 作者:  Li, Yaping;  Peng, Jiale;  Zhou, Yeheng;  Li, Penghua;  Li, Yingying 收藏  |  浏览/下载：29/0  |  提交时间：2018/11/12 Checkpoint kinase 1 inhibitor  Virtual screening  Pharmacophore modeling  Molecular docking  Molecular dynamics simulations   Single glucose molecule transport process revealed by force tracing and molecular dynamics simulations 期刊论文 NANOSCALE HORIZONS, 2018, 卷号: 3, 期号: 5, 页码: 9 作者:  Pan, Yangang;  Zhang, Yuebin;  Gongpan, Pianchou;  Zhang, Qingrong;  Huang, Siteng 收藏  |  浏览/下载：97/0  |  提交时间：2018/09/27 Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation 期刊论文 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915 作者:  Li, Yaping;  Pu, Yinglan;  Liu, Hui;  Zhang, Li;  Liu, Xingyong 收藏  |  浏览/下载：50/0  |  提交时间：2018/11/06 Wee1 inhibitors  Pharmacophore model  Molecular docking  Virtual screening  Molecular dynamics simulation   Pharmacophore modeling, molecular docking and molecular dynamics studies on natural products database to discover novel skeleton as non-puricie xanthine oxidase inhibitors 期刊论文 JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2018, 卷号: 38, 期号: 3, 页码: 246-255 作者:  Peng, Jiale;  Li, Yaping;  Zhou, Yeheng;  Zhang, Li;  Liu, Xingyong 收藏  |  浏览/下载：32/0  |  提交时间：2019/03/29 Free energy of binding of coiled-coil complexes with different electrostatic environments: the influence of force field polarisation and capping. 期刊论文 Natural products and bioprospecting, 2014, 卷号: 4, 期号: 5, 页码: 285-95 作者:  Zuo, Zhi-Li;  Guo, Ling;  Mancera, Ricardo L 收藏  |  浏览/下载：11/0  |  提交时间：2019/03/29 Mechanism of Local Conformational Transitions in Poly( dialkylsiloxanes), Molecular Dynamics Simulations and Dynamic Rotational Isomeric State Approach 期刊论文 Macromolecules, 1992, 卷号: 25, 期号: 0, 页码: 4619-4625 作者:  Ivet Bahar;  Neal Neuburger;  Wayne L. Mattice 收藏  |  浏览/下载：4/0  |  提交时间：2017/07/26