Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: A maternal embryonic leucine zipper kinase example

Journal of Chemical Information and Modeling

Volumn 52, Issue 5, 2012, Pages 1345-1355

  Mahasenan, Kiran V ^a   Li, Chenglong ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; DIAGNOSIS; ENZYME INHIBITION; LIGANDS; TRANSCRIPTION FACTORS;

BIOACTIVE CONFORMATION; CONFORMATIONAL PLASTICITY; CONFORMATIONAL STATE; CRYSTALLOGRAPHIC DATA; MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE; PROTEIN CONFORMATION; STRUCTURE BASED DRUG DESIGNS; THERAPEUTIC AGENTS;

CONFORMATIONS;

LIGAND; MELK PROTEIN, HUMAN; PROTEIN SERINE THREONINE KINASE;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DEVELOPMENT; DRUG SCREENING; HUMAN; MOLECULAR LIBRARY; PROTEIN CONFORMATION;

COMPUTER SIMULATION; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN-SERINE-THREONINE KINASES; SMALL MOLECULE LIBRARIES;

EID: 84861518554     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300040c     Document Type: Article

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