Exploring inhibitor release pathways in histone deacetylases using random acceleration molecular dynamics simulations

Journal of Chemical Information and Modeling

Volumn 52, Issue 2, 2012, Pages 589-603

  Kalyaanamoorthy, Subha ^a   Chen, Yi Ping Phoebe ^a  

^a LA TROBE UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; CELL PROLIFERATION; CONTROLLED DRUG DELIVERY; CRYSTAL ATOMIC STRUCTURE; DISEASES; ENZYMES; LIGANDS; MOLECULES; REACTION KINETICS; TARGETED DRUG DELIVERY;

AMINO ACID RESIDUES; CELL CYCLE REGULATION; CLASSICAL MOLECULAR DYNAMICS; HISTONE DEACETYLASES; METAL-DEPENDENT ENZYMES; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL AND DYNAMIC PROPERTIES; X RAY CRYSTAL STRUCTURES;

MOLECULAR DYNAMICS;

HISTONE DEACETYLASE; HISTONE DEACETYLASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PROTEIN DOMAIN;

CATALYTIC DOMAIN; HISTONE DEACETYLASE INHIBITORS; HISTONE DEACETYLASES; HUMANS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN INTERACTION DOMAINS AND MOTIFS;

EID: 84863126869     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200584f     Document Type: Conference Paper

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