New description of protein-ligand interactions using a spherical self-organizing map

Bioorganic and Medicinal Chemistry

Volumn 20, Issue 18, 2012, Pages 5410-5415

  Hasegawa, Kiyoshi ^a   Funatsu, Kimito ^b  

^a CHUGAI PHARMACEUTICAL CO LTD   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Caspase 3 inhibitors; Molecular electrostatic potential; Protein ligand interactions; Quantitative structure activity relationship; Spherical self organizing map

Indexed keywords

BETA 2 ADRENERGIC RECEPTOR; CASPASE 3 INHIBITOR; LIGAND;

ANALYTIC METHOD; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; ENZYME ACTIVE SITE; MOLECULAR MODEL; PROTEIN INTERACTION; PROTEIN LIGAND INTERACTION; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SPHERICAL SELF ORGANIZING MAP; SUPPORT VECTOR MACHINE;

CASPASE 3; CASPASE INHIBITORS; CATALYTIC DOMAIN; LIGANDS; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84866236753     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2012.03.041     Document Type: Article

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