Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design

Protein Science

Volumn 7, Issue 9, 1998, Pages 1884-1897

  Liang, Jie ^a,c   Edelsbrunner, Herbert ^b   Woodward, Clare ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b University of Illinois at Urbana Champaign   (United States)

^c GLAXOSMITHKLINE   (United Kingdom)

Author keywords

Alpha shape; Delaunay triangulation; Docking; Molecular interactions; Molecular recognition; Protein binding site; Protein ligand design; Protein pockets and cavities; Protein structure analysis; SAR by NMR

Indexed keywords

ACETYLCHOLINESTERASE; CYTIDINE PHOSPHATE; EDROPHONIUM; ELASTASE; ELASTASE INHIBITOR; ENDONUCLEASE; ENZYME; ETHYLENE DERIVATIVE; FK 506 BINDING PROTEIN; FLAVINE ADENINE NUCLEOTIDE; GLOBULAR PROTEIN; IRON SULFUR PROTEIN; ISOMERASE; LIGAND; N OCTYLTETRAOXYETHYLENE; PEROXIDASE; PHOSPHATE; PORIN; PROTEIN; PROTEINASE; PROTEINASE INHIBITOR; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE; RIBONUCLEASE; THIOREDOXIN REDUCTASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; COMPLEX FORMATION; COMPUTER PROGRAM; GEOMETRY; LIGAND BINDING; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN STRUCTURE; STATISTICAL ANALYSIS;

EID: 0031687653     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1002/pro.5560070905     Document Type: Article

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