NADH interactions with WT- and S94A-acyl carrier protein reductase from Mycobacterium tuberculosis: An ab initio study

Proteins: Structure, Function and Genetics

Volumn 47, Issue 1, 2002, Pages 62-68

  Pantano, Sergio ^a,b   Alber, Frank ^a   Lamba, Doriano ^c,d   Carloni, Paolo ^a,c  

^a SISSA   (Italy)

^b UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

^c INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY   (Italy)

^d CNR   (Italy)

Author keywords

Car Parrinello; Drug resistance; Force field; InhA; Molecular dynamics; Mycobacterium tuberculosis

Indexed keywords

ACYL CARRIER PROTEIN; ACYL CARRIER PROTEIN REDUCTASE; GLYCINE; OXIDOREDUCTASE; PROTEIN INHA; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE; SERINE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; BACTERIUM MUTANT; CALCULATION; CHEMICAL BINDING; CONFORMATIONAL TRANSITION; DRUG RESISTANCE; GEOMETRY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN PROTEIN INTERACTION; QUANTUM CHEMISTRY; X RAY ANALYSIS;

ACYL CARRIER PROTEIN; ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; DRUG RESISTANCE, BACTERIAL; ISONIAZID; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; MUTATION; MYCOBACTERIUM TUBERCULOSIS; NAD; OXIDOREDUCTASES;

MYCOBACTERIUM; MYCOBACTERIUM TUBERCULOSIS;

EID: 0036533667     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.1177     Document Type: Article

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