Substrate tunnels in enzymes: Structure-function relationships and computational methodology

Proteins: Structure, Function and Bioinformatics

Volumn 83, Issue 4, 2015, Pages 599-611

  Kingsley, Laura J ^a   Lill, Markus A ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

Buried active site; CAVER; IterTunnel; MOLE; Protein tunnels; REMD; Structure function relationship

Indexed keywords

ENZYME; ENZYME TUNNEL; LIGAND; UNCLASSIFIED DRUG;

CATALYSIS; ENZYME SPECIFICITY; ENZYME SUBSTRATE; GEOMETRY; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN ANALYSIS; REVIEW; STRUCTURE ACTIVITY RELATION; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; ENZYME ACTIVE SITE; METABOLISM; PROCEDURES; PROTEIN CONFORMATION;

CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; ENZYMES; MODELS, MOLECULAR; PROTEIN CONFORMATION; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84925334556     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24772     Document Type: Review

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