An effective approach for clustering InhA molecular dynamics trajectory using substrate-binding cavity features

PLoS ONE

Volumn 10, Issue 7, 2015, Pages

  De Paris, Renata ^a   Quevedo, Christian V ^a   Ruiz, Duncan D A ^a   De Souza, Osmar Norberto ^a  

^a PONTIFICAL CATHOLIC UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ENOYL ACYL CARRIER PROTEIN REDUCTASE (NADH); INHA ENZYME; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE; UNCLASSIFIED DRUG; BACTERIAL PROTEIN; INHA PROTEIN, MYCOBACTERIUM; NICOTINAMIDE ADENINE DINUCLEOTIDE; OXIDOREDUCTASE;

ALGORITHM; ARTICLE; CLUSTER ANALYSIS; ENZYME SUBSTRATE COMPLEX; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; PROTEIN CONFORMATION; ROOT MEAN SQUARE DEVIATION; BINDING SITE; CHEMISTRY; METABOLISM; PROCEDURES;

ALGORITHMS; BACTERIAL PROTEINS; BINDING SITES; CLUSTER ANALYSIS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NAD; OXIDOREDUCTASES; PROTEIN CONFORMATION;

EID: 84941924740     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0133172     Document Type: Article

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