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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 专题：北京大学    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 3D-QSAR studies on tripeptide aldehyde inhibitors of proteasome using CoMFA and CoMSIA methods 期刊论文 生物有机化学与医药化学, 2006 Zhu, YQ; Pei, JF; Liu, ZM; Lai, LH; Cui, JR; Li, RT 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11 3D-QSAR  CoMFA  CoMSIA  proteasome inhibitors  tripeptide aldehyde  drug design  MULTICATALYTIC PROTEINASE COMPLEX  MOLECULAR SIMILARITY INDEXES  CHYMOTRYPSIN-LIKE ACTIVITY  20S PROTEASOME  BETA-SUBUNITS  SELECTIVE INHIBITORS  ANTIGEN PRESENTATION  PROTEOLYTIC SYSTEM  26S PROTEASOME  FIELD ANALYSIS   PSI-DOCK: Towards highly efficient and accurate flexible ligand docking 期刊论文 proteins structure function and bioinformatics, 2006 Pei, JF; Wang, Q; Liu, ZM; Li, QL; Yang, K; Lai, LH 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 scoring  docking  SCORE 3.0  PSI-DOCK  drug design  message passing interface (MPI)  virtual screening  INCREMENTAL CONSTRUCTION ALGORITHM  BINDING FREE-ENERGY  GENETIC ALGORITHM  MOLECULAR DOCKING  AUTOMATED DOCKING  TABU SEARCH  PROTEIN  AFFINITY  VALIDATION  INHIBITORS   Improving the quality of 3D-QSAR by using flexible-ligand receptor models 期刊论文 journal of chemical information and modeling, 2005 Pei, JF; Chen, H; Liu, ZM; Han, XF; Wang, Q; Shen, B; Zhou, JJ; Lai, LH 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/11 GAMMA-AMINOBUTYRIC-ACID  BINDING FREE-ENERGY  PSEUDORECEPTOR MODELS  SURFACE MODELS  CONSTRUCTION  INHIBITORS  ALIGNMENT  4D-QSAR  QSAR  REPRESENTATION   Virtual screening of novel noncovalent inhibitors for SARS-CoV 3C-like proteinase 期刊论文 journal of chemical information and modeling, 2005 Liu, ZM; Huang, CK; Fan, KQ; Wei, P; Chen, H; Liu, SY; Pei, JF; Shi, L; Li, B; Yang, K; Liu, Y; Lai, LH 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/11 ACUTE-RESPIRATORY-SYNDROME  CORONAVIRUS MAIN PROTEINASE  RHINOVIRUS 3C PROTEASE  BINDING-AFFINITY  EMPIRICAL-METHOD  DRUG DESIGN  MECHANISM  RIBAVIRIN  SEROTYPES  DOCKING   Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase 期刊论文 journal of biological chemistry, 2004 Fan, KQ; Wei, P; Feng, Q; Chen, SD; Huang, CK; Ma, L; Lai, B; Pei, JF; Liu, Y; Chen, JG; Lai, LH 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/14 RHINOVIRUS 3C PROTEASE  STRUCTURE-BASED DESIGN  BIOLOGICAL EVALUATION  MAIN PROTEINASE  2-PYRIDONE-CONTAINING PEPTIDOMIMETICS  AMINO-ACIDS  INHIBITORS  SARS  REVEALS  FOLD   Estimating protein-ligand binding free energy: Atomic solvation parameters for partition coefficient and solvation free energy calculation 期刊论文 proteins structure function and bioinformatics, 2004 Pei, JF; Wang, Q; Zhou, JJ; Lai, LH 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/11 ASP  log P  solvent-accessible surface area  ASPLOGOP  protein-ligand complex  conformation-dependent  SCORE  ACCESSIBLE SURFACE-AREAS  EMPIRICAL SCORING FUNCTIONS  MOLECULAR-DYNAMICS  ADDITIVE METHOD  PREDICTION  AFFINITY  MODEL  VALIDATION  PEPTIDES  COMPLEX