Molecular dynamics analysis of the interaction between the human BCL6 BTB domain and its SMRT, NcoR and BCOR corepressors: The quest for a consensus dynamic pharmacophore

Journal of Molecular Graphics and Modelling

Volumn 50, Issue , 2014, Pages 142-151

  Granadino Roldan J M ^a   Obiol Pardo, C ^b,c   Pinto, M ^b,c   Garzon A ^d   Rubio Martinez J ^b,c  

^a UNIVERSITY OF JAÉN   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c Institut de Química Teòrica I Computacional IQTCUB   (Spain)

^d UNIVERSITY OF CASTILLA LA MANCHA   (Spain)

Author keywords

BCL6; DLBCL; Drug design; Molecular dynamics; Pharmacophore

Indexed keywords

AMINO ACIDS; MOLECULES; PHARMACODYNAMICS; PROTEINS;

BCL6; COMPARATIVE ANALYSIS; COREPRESSOR COMPLEXES; DLBCL; DRUG DESIGN; PHARMACOPHORES; SMALL MOLECULE INHIBITOR; THEORETICAL STRUCTURE;

MOLECULAR DYNAMICS;

BCL6 INTERACTING COREPRESSOR; COREPRESSOR PROTEIN; HYDROGEN; NUCLEAR RECEPTOR COREPRESSOR; PROTEIN BCL 6; SILENCING MEDIATOR OF RETINOID AND THYROID HORMONE RECEPTOR; UNCLASSIFIED DRUG; BCOR PROTEIN, HUMAN; ONCOPROTEIN; PROTEIN BINDING; REPRESSOR PROTEIN;

AMINO ACID ANALYSIS; AMINO ACID COMPOSITION; ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL MODEL; COMPARATIVE STUDY; COMPLEX FORMATION; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN DOMAIN; CHEMISTRY; HUMAN; METABOLISM;

CO-REPRESSOR PROTEINS; HUMANS; MOLECULAR DYNAMICS SIMULATION; NUCLEAR RECEPTOR CO-REPRESSOR 2; PROTEIN BINDING; PROTO-ONCOGENE PROTEINS; REPRESSOR PROTEINS;

EID: 84899698307     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2014.04.003     Document Type: Article

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