Molecular dynamics simulations of protein targets identified in mycobacterium tuberculosis

Current Medicinal Chemistry

Volumn 18, Issue 9, 2011, Pages 1353-1366

  De Azevedo Jr , W F ^a  

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

Author keywords

Computer simulations; Enoyl acyl carrier protein reductase (InhA); GROMACS; Molecular dynamics; Mycobacterium tuberculosis; Purine nucleoside phosphorylase (PNP); Shikimate kinase; Structure based virtual screening

Indexed keywords

ANTIINFECTIVE AGENT; ANTINEOPLASTIC AGENT; ANTIVIRUS AGENT; BACTERIAL PROTEIN; LIGAND; OXIDOREDUCTASE; PHOSPHOTRANSFERASE; PURINE NUCLEOSIDE PHOSPHORYLASE; PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITOR; SHIKIMATE KINASE; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; BINDING AFFINITY; DRUG SYNTHESIS; ENZYME ACTIVITY; ENZYME CONFORMATION; ENZYME PHOSPHORYLATION; ENZYME STRUCTURE; HYDROGEN BOND; LIGAND BINDING; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PROTEIN BINDING; PROTEIN DOMAIN; PROTEIN STRUCTURE; PROTEIN TARGETING; SIMULATION;

BACTERIAL PROTEINS; ENOYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (NADH); MOLECULAR DYNAMICS SIMULATION; MYCOBACTERIUM TUBERCULOSIS; PHOSPHOTRANSFERASES (ALCOHOL GROUP ACCEPTOR); PURINE-NUCLEOSIDE PHOSPHORYLASE;

EID: 79952791710     PISSN: 09298673     EISSN: None     Source Type: Journal    
DOI: 10.2174/092986711795029519     Document Type: Article

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