Molecular modeling study for conformational changes of Sirtuin 2 due to substrate and inhibitor binding

Journal of Biomolecular Structure and Dynamics

Volumn 30, Issue 3, 2012, Pages 235-254

  Sakkiah, Sugunadevi ^a   Chandrasekaran, Meganathan ^a   Lee, Yuno ^a   Kim, Songmi ^a   Lee, Keun Woo ^a  

^a Gyeongsang National University   (South Korea)

Author keywords

Electrostatic potential; GROMACS; LigandFit; Molecular docking; Molecular dynamics simulation; Sirtinol; Sirtuin

Indexed keywords

LYSINE; NICOTINAMIDE ADENINE DINUCLEOTIDE; SIRTINOL; SIRTUIN 2;

ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; DEACETYLATION; ENZYME ACTIVE SITE; ENZYME INHIBITOR COMPLEX; ENZYME STABILITY; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTATIONAL ANALYSIS; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; STRUCTURE ANALYSIS;

AMINO ACID SEQUENCE; BINDING SITES; HISTONE DEACETYLASE INHIBITORS; HUMANS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MUTATION; NAD; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN STRUCTURE, SECONDARY; SEQUENCE ALIGNMENT; SIRTUIN 2; STATIC ELECTRICITY; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

RUMEX;

EID: 84863857990     PISSN: 07391102     EISSN: None     Source Type: Journal    
DOI: 10.1080/07391102.2012.680026     Document Type: Article

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