Molecular dynamics study of small molecule inhibitors of the Bcl-2 family

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 9, 2011, Pages 2624-2636

  Acoca, Stéphane ^a   Cui, Qizhi ^b   Shore, Gordon C ^a   Purisima, Enrico O ^a,b  

^a MCGILL UNIVERSITY   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

ABT 737; Apoptosis; Bcl 2; Bcl xL; Docking; Mcl 1; Molecular dynamics; Obatoclax

Indexed keywords

4 [4 (4' CHLORO 2 BIPHENYLYLMETHYL) 1 PIPERAZINYL] N [4 [3 DIMETHYLAMINO 1 (PHENYLTHIOMETHYL)PROPYLAMINO] 3 NITROBENZENESULFONYL]BENZAMIDE; BECLIN 1; BIM PROTEIN; OBATOCLAX; PHENYL GROUP; PIPERAZINE; PROTEIN BAD; PROTEIN BAK; PROTEIN BCL 2; PROTEIN BCL XL; PROTEIN BID; PROTEIN MCL 1; PROTEIN NOXA; PUMA PROTEIN;

ARTICLE; CHEMICAL BOND; DRUG BINDING SITE; DRUG PROTEIN BINDING; DRUG STRUCTURE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

ALANINE; AMINO ACID SEQUENCE; BIPHENYL COMPOUNDS; HUMANS; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; NITROPHENOLS; PIPERAZINES; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; PROTO-ONCOGENE PROTEINS C-BCL-2; PYRROLES; SEQUENCE ALIGNMENT; SULFONAMIDES; THERMODYNAMICS;

EID: 80051573539     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.23083     Document Type: Article

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