Utilizing a Dynamical Description of IspH to Aid in the Development of Novel Antimicrobial Drugs

PLoS Computational Biology

Volumn 9, Issue 12, 2013, Pages

  Blachly, Patrick G ^a   de Oliveira, César A F ^b   Williams, Sarah L ^a   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MICROORGANISMS; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; PROTEINS;

ANTIBACTERIAL DRUGS; ANTIMALARIAL DRUG; ANTIMICROBIAL DRUG; DRUG DISCOVERY; ISOPRENOIDS; M. TUBERCULOSIS; NONMEVALONATE PATHWAY; P. FALCIPARUM; STRUCTURAL STUDIES; SUBSTRATE-FREE;

CONFORMATIONS;

ANTIINFECTIVE AGENT; ANTIMALARIAL AGENT; ISOPRENOID;

ARTICLE; BACTERIAL INFECTION; COMPUTER SIMULATION; ENZYME SUBSTRATE COMPLEX; HELICOBACTER PYLORI; LIGAND BINDING; METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PLASMODIUM FALCIPARUM; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; SIMULATION;

ANTI-INFECTIVE AGENTS; BACTERIAL PROTEINS; CATALYTIC DOMAIN; DRUG DESIGN; LIGANDS; MODELS, THEORETICAL; MOLECULAR DYNAMICS SIMULATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION;

EID: 84892761779     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1003395     Document Type: Article

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