Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery

Journal of Chemical Information and Modeling

Volumn 47, Issue 6, 2007, Pages 2358-2365

  Lerner, Michael G ^a   Bowman, Anna L ^a   Carlson, Heather A ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CRYSTAL STRUCTURE; DRUG DELIVERY; ENZYMES; ESCHERICHIA COLI; MOLECULAR STRUCTURE; SOLVENTS;

CLOSED M20 LOOP; DIHYDROFOLATE REDUCTASE (DHFR); PHARMACOPHORE; SOLVENT-MAPPING;

MOLECULAR DYNAMICS;

DIHYDROFOLATE REDUCTASE; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG DESIGN; DRUG EFFECT; ENZYME ACTIVATION; ENZYMOLOGY; ESCHERICHIA COLI; METABOLISM; PROTEIN DATABASE; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DESIGN; ENZYME ACTIVATION; ESCHERICHIA COLI; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 37249000795     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700167n     Document Type: Article

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