A computational analysis of binding modes and conformation changes of MDM2 induced by p53 and inhibitor bindings

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 11, 2013, Pages 965-974

  Chen, Jianzhong ^a   Wang, Jinan ^b   Zhu, Weiliang ^b   Li, Guohui ^c  

^a SHANDONG JIAOTONG UNIVERSITY   (China)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^c DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

MM GBSA; Molecular dynamics simulation; p53 MDM2 interaction; PCA

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; MOLECULAR MECHANICS; PRINCIPAL COMPONENT ANALYSIS;

BINDING CONFORMATIONS; BINDING MODES; BINDING PARTNERS; COMPUTATIONAL ANALYSIS; DYNAMICS SIMULATION; MM-GBSA; MODE CHANGES; MOLECULAR DYNAMIC SIMULATION; P53-MDM2 INTERACTION; PCA;

MOLECULAR DYNAMICS;

MEMBRANE PROTEIN; PROTEIN MDM2; PROTEIN MI63A; PROTEIN P4; PROTEIN P53; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATIONAL TRANSITION; ENERGY TRANSFER; HYDROPHOBICITY; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN FUNCTION; PROTEIN INTERACTION; PROTEIN PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN STRUCTURE;

AMINO ACID SEQUENCE; ANTINEOPLASTIC AGENTS; BINDING SITES; DRUG DESIGN; HUMANS; MOLECULAR DYNAMICS SIMULATION; NEOPLASMS; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTO-ONCOGENE PROTEINS C-MDM2; THERMODYNAMICS; TUMOR SUPPRESSOR PROTEIN P53;

EID: 84890814359     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-013-9693-z     Document Type: Article

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