Theoretical studies on the interactions of XIAP-BIR3 domain with bicyclic and tricyclic core monovalent Smac mimetics

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 3, 2010, Pages 354-362

  Ling, Baoping ^a   Dong, Lihua ^b,c   Zhang, Rui ^b   Wang, Zhiguo ^b   Liu, Yongjun ^a,b   Liu, Chengbu ^a  

^a SHANDONG UNIVERSITY   (China)

^b NORTHWEST INSTITUTE OF PLATEAU BIOLOGY   (China)

^c TAISHAN MEDICAL UNIVERSITY   (China)

Author keywords

Binding free energy; Caspase 9; Molecular docking; Molecular dynamics simulations; Smac mimetics; XIAP BIR3

Indexed keywords

BINDING FREE ENERGY; CASPASES; MIMETICS; MOLECULAR DOCKING; MOLECULAR DYNAMICS SIMULATIONS; XIAP-BIR3;

CELL DEATH; COMPLEXATION; DOCKING; DYNAMICS; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR MODELING;

BINDING ENERGY;

SECOND MITOCHONDRIAL ACTIVATOR OF CASPASE; X LINKED INHIBITOR OF APOPTOSIS;

ARTICLE; BINDING AFFINITY; BIOMIMETICS; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN INTERACTION; PROTEIN MODIFICATION; PROTEIN STABILITY; PROTEIN STRUCTURE;

BINDING SITES; BIOMIMETICS; CRYSTALLOGRAPHY, X-RAY; INTRACELLULAR SIGNALING PEPTIDES AND PROTEINS; MITOCHONDRIAL PROTEINS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; X-LINKED INHIBITOR OF APOPTOSIS PROTEIN;

EID: 78649502265     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.09.011     Document Type: Article

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