Molecular docking of balanol to dynamics snapshots of protein kinase A

Proteins: Structure, Function and Genetics

Volumn 61, Issue 4, 2005, Pages 850-858

  Wong, Chung F ^a   Kua, Jeremy ^b   Zhang, Yingkai ^c   Straatsma, T P ^d   McCammon, J Andrew ^e  

^a UNIVERSITY OF MISSOURI ST LOUIS   (United States)

^b UNIVERSITY OF SAN DIEGO   (United States)

^c NEW YORK UNIVERSITY   (United States)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Autodock; Generalized born surface area model; Lamarckian genetic algorithm; Molecular dynamics; Protein flexibility

Indexed keywords

BALANOL; CYCLIC AMP DEPENDENT PROTEIN KINASE;

ALGORITHM; ARTICLE; COMPLEX FORMATION; CONFORMATION; DRUG BINDING SITE; DRUG PROTEIN BINDING; DRUG RECEPTOR BINDING; ENERGY; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PRIORITY JOURNAL; RECEPTOR AFFINITY; SIMULATION;

AZEPINES; COMPUTER SIMULATION; CYCLIC AMP-DEPENDENT PROTEIN KINASES; ENZYME INHIBITORS; HYDROXYBENZOIC ACIDS; KINETICS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; STRESS, MECHANICAL;

LAMARCKIA;

EID: 28644443463     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20688     Document Type: Article

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