Molecular dynamics simulations studies and free energy analysis on inhibitors of MDM2-p53 interaction

Journal of Molecular Graphics and Modelling

Volumn 46, Issue , 2013, Pages 132-139

  Niu, Rui Juan ^a   Zheng, Qing Chuan ^a   Zhang, Ji Long ^a   Zhang, Hong Xing ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Binding free energy; Conformational mobility; MD simulations; MDM2 p53 interaction; MM GBSA

Indexed keywords

BINDING FREE ENERGY; CONFORMATIONAL MOBILITY; MD SIMULATION; MDM2-P53 INTERACTION; MM-GBSA;

BINDING ENERGY;

MOLECULAR DYNAMICS;

HYDROGEN; PROTEIN MDM2; PROTEIN P53;

ARTICLE; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN STRUCTURE;

MURINAE;

BINDING FREE ENERGY; CONFORMATIONAL MOBILITY; MD SIMULATIONS; MDM2-P53 INTERACTION; MM-GBSA;

HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DYNAMICS SIMULATION; PEPTIDE FRAGMENTS; PROTEIN BINDING; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STRUCTURE, SECONDARY; PROTO-ONCOGENE PROTEINS C-MDM2; THERMODYNAMICS; TUMOR SUPPRESSOR PROTEIN P53;

EID: 84887051563     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.10.005     Document Type: Article

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