Computational screening and design of S100B ligand to block S100B-p53 interaction

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 8, 2009, Pages 969-977

  Whitlow, John L ^a   Varughese, Jayson F ^a   Zhou, Zhigang ^b   Bartolotti, Libero J ^a   Li, Yumin ^a  

^a EAST CAROLINA UNIVERSITY   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

Binding affinity; Molecular dynamics simulation; p53 tumor suppressor; S100B; Virtual screening

Indexed keywords

BINDING AFFINITY; MOLECULAR DYNAMICS SIMULATION; P53 TUMOR SUPPRESSOR; S100B; VIRTUAL SCREENING;

AMINES; BINDING ENERGY; LIGANDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; ORGANIC COMPOUNDS; TUMORS; ZINC; ZINC COMPOUNDS;

DYNAMICS;

ORGANIC COMPOUND; PROTEIN P53; PROTEIN S100B; TUMOR SUPPRESSOR PROTEIN;

ABSORPTION; ARTICLE; BINDING AFFINITY; CALCULATION; COMPLEX FORMATION; DATA BASE; GEOMETRY; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PREDICTION; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN TARGETING; SCREENING; SIMULATION; VIRTUAL REALITY;

COMPUTER SIMULATION; DATABASES, FACTUAL; HUMANS; NERVE GROWTH FACTORS; ORGANIC CHEMICALS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; S100 PROTEINS; THERMODYNAMICS; TUMOR SUPPRESSOR PROTEIN P53;

EID: 67349279571     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.02.006     Document Type: Article

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