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浏览/检索结果: 共3条，第1-3条 帮助 限定条件 发表日期：2006    内容类型：期刊论文     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 Investigation on photophysical properties of a substituted 3H-indole-modified beta-cyclodextrin - I. Conformation in water and recognition mechanism as a chemosensor 期刊论文 journal of photochemistry and photobiology a chemistry, 2006 Wu, Aihua; Chen, Qi; Xia, Ke; Hou, Tingjun; Shen, Xinghai; Gao, Hongeheng; Xu, Xiaojie 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/12 molecular recognition  chemosensor  steady-state fluorescence  molecular dynamics  BOVINE SERUM-ALBUMIN  2 PYRENE MOIETIES  CIRCULAR-DICHROISM  FLUORESCENT CYCLODEXTRINS  INCLUSION COMPLEXATION  MOLECULAR RECOGNITION  GAMMA-CYCLODEXTRINS  PROBE MOLECULE  DERIVATIVES  MICELLES   Recent Advances in Free Energy Calculations with a Combination of Molecular Mechanics and Continuum Models 期刊论文 current computer aided drug design, 2006 Wang, Junmei; Hou, Tingjun; Xu, Xiaojie 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/13 Molecular mechanics  continuum solvation model  MM-PBSA  MM-GBSA  free energy  binding free energy   Recent advances in computational prediction of drug absorption and permeability in drug discovery 期刊论文 当今医药化学, 2006 Hou, Tingjun; Wang, Junmei; Zhang, Wei; Wang, Wei; Xu, Xiaojie 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/16 ADME  drug adsorption  permeability  Caco-2 monolayer  blood-brain partitioning (BBB)  logBB  QSAR  HUMAN INTESTINAL-ABSORPTION  BRAIN-BARRIER PERMEATION  QUANTITATIVE STRUCTURE-ACTIVITY  MOLECULAR-SURFACE PROPERTIES  CACO-2 CELL-PERMEABILITY  SUPPORT VECTOR MACHINE  IN-SILICO PREDICTION  STRUCTURE-PROPERTY RELATIONSHIP  MARKETED ORAL-DRUGS  ADME EVALUATION