Substrate-dependent dynamics of UDP-galactopyranose mutase: Implications for drug design

Protein Science

Volumn 22, Issue 11, 2013, Pages 1490-1501

  Boechi, Leonardo ^a   De Oliveira, Cesar Augusto F ^b   Da Fonseca, Isabel ^c   Kizjakina, Karina ^c   Sobrado, Pablo ^c   Tanner, John J ^d   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HOWARD HUGHES MEDICAL INSTITUTE   (United States)

^c VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^d UNIVERSITY OF MISSOURI   (United States)

Author keywords

Accelerated molecular dynamics; Inhibitor design; MD; UDP galactopyranose mutase; UGM

Indexed keywords

PROTOZOAL PROTEIN; UDP GALACTOPYRANOSE MUTASE; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER SIMULATION; CONTROLLED STUDY; DRUG DESIGN; ENZYME ACTIVE SITE; ENZYME KINETICS; ENZYME SUBSTRATE; NONHUMAN; PRIORITY JOURNAL; SITE DIRECTED MUTAGENESIS; TRYPANOSOMA CRUZI;

ACCELERATED MOLECULAR DYNAMICS; INHIBITOR DESIGN; MD; UDP-GALACTOPYRANOSE MUTASE; UGM;

CATALYTIC DOMAIN; CHAGAS DISEASE; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; INTRAMOLECULAR TRANSFERASES; KINETICS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MUTAGENESIS, SITE-DIRECTED; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; SUBSTRATE SPECIFICITY; TRYPANOSOMA CRUZI; URIDINE DIPHOSPHATE;

EID: 84892773264     PISSN: 09618368     EISSN: 1469896X     Source Type: Journal    
DOI: 10.1002/pro.2332     Document Type: Article

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