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北京大学 [11]

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期刊论文 [10]

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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

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	Binding Site Detection and Druggability Prediction of Protein Targets for Structure-Based Drug Design 期刊论文 current pharmaceutical design, 2013 Yuan, Yaxia; Pei, Jianfeng; Lai, Luhua 收藏 \| 浏览/下载：2/0 \| 提交时间：2015/11/13 Ligandability druggability binding site detection structure-based drug design CAVITY LIGAND-BINDING PDBBIND DATABASE ATOM DEPTH IDENTIFICATION POCKETS MACROMOLECULES DESCRIPTOR CAVITIES REGIONS SEARCH
	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
	Recent development and application of virtual screening in drug discovery: An overview 期刊论文 current pharmaceutical design, 2004 Hou, TJ; Xu, XJ 收藏 \| 浏览/下载：2/0 \| 提交时间：2015/11/14 virtual screening molecular docking database screening pharmacophore modeling ADME structure-based drug design scoring function de novo drug design PROTEIN-LIGAND INTERACTIONS DE-NOVO DESIGN DOPAMINE TRANSPORTER INHIBITORS PHARMACOPHORE-BASED DISCOVERY HUMAN ORAL BIOAVAILABILITY SMALL-MOLECULE INHIBITORS HUMAN CARBONIC-ANHYDRASE FREE-ENERGY CALCULATIONS BINDING FREE-ENERGIES SCORING FUNCTION
	3C-like proteinase from SARS coronavirus catalyzes substrate hydrolysis by a general base mechanism 期刊论文 biochemistry us, 2004 Huang, CK; Wei, P; Fan, KQ; Liu, Y; Lai, LH 收藏 \| 浏览/下载：4/0 \| 提交时间：2015/11/11 STRUCTURE-BASED DESIGN 3C PROTEASE INHIBITORS ACUTE RESPIRATORY SYNDROME IMIDAZOLIUM ION-PAIR BIOLOGICAL EVALUATION MAIN PROTEINASE ACTIVE-SITE 2-PYRIDONE-CONTAINING PEPTIDOMIMETICS PURIFICATION PAPAIN
	Further development and validation of empirical scoring functions for structure-based binding affinity prediction 期刊论文计算机辅助分子设计杂志, 2002 Wang, RX; Lai, LH; Wang, SM 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/11 binding affinity prediction consensus scoring empirical scoring molecular docking structure-based drug design PROTEIN-LIGAND COMPLEX DE-NOVO DESIGN DRUG DESIGN 3-DIMENSIONAL STRUCTURES GENETIC ALGORITHM FLEXIBLE DOCKING DATABASE SEARCH PROGRAM SITES
	LigBuilder: A multi-purpose program for structure-based drug design 期刊论文 journal of molecular modeling, 2000 Wang, RX; Gao, Y; Lai, LH 收藏 \| 浏览/下载：21/0 \| 提交时间：2015/11/11 structure-based drug design automatic ligand construction fragment-based approach genetic algorithm NOVO MOLECULAR DESIGN PROTEIN-LIGAND COMPLEX PRO-LIGAND 3-DIMENSIONAL STRUCTURE BINDING-SITES INHIBITORS LUDI GENERATION THROMBIN PEPTIDES
	磷脂酶A_2吲哚类抑制剂的结构和活性关系期刊论文物理化学学报, 1998 王任小; 冯亚彬; 来鲁华; 唐有祺收藏 \| 浏览/下载：3/0 \| 提交时间：2015/10/24 凝脂酶A_2 吲哚类抑制剂基于结构的定量构效关系药物设计 phospholipase A(2) indole-based inhibitors structure-based quantitative structure-activity relationship drug design
	凝血酶抑制剂的结构与活性的关系期刊论文物理化学学报, 1998 王任小; 刘亮; 来鲁华; 唐有祺收藏 \| 浏览/下载：2/0 \| 提交时间：2015/10/24 凝血酶抑制剂亲和性基于结构的定量构效关系药物设计 thrombin inhibitor binding affinity structure-based quantitative structure-activity relationship drug design
	酶-配体复合物亲和性的计算期刊论文物理化学学报, 1998 王任小; 李维忠; 来鲁华; 唐有祺收藏 \| 浏览/下载：1/0 \| 提交时间：2015/10/24 药物设计酶－配体复合物亲和性基于结构的定量构效关系 drug design enzyme-ligand complex binding affinity structure-based quantitative structure-activity relationship
	SCORE: A new empirical method for estimating the binding affinity of a protein-ligand complex 期刊论文 journal of molecular modeling, 1998 Wang, RX; Liu, L; Lai, LH; Tang, YQ 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/11 protein-ligand complex binding affinity empirical scoring function structure-based drug design FREE-ENERGY CALCULATIONS DRUG DESIGN 3-DIMENSIONAL STRUCTURE ORGANIC-MOLECULES HIV-1 PROTEASE RECEPTOR PREDICTION GENERATION PROGRAM INHIBITORS

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