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Journal of Computational Chemistry

Volumn 34, Issue 26, 2013, Pages 2270-2283

Ligand release mechanisms and channels in histone deacetylases

(2) Kalyaanamoorthy, Subha a,b Chen, Yi Ping Phoebe a

a LA TROBE UNIVERSITY (Australia)

b CSIRO (Australia)

Author keywords

channels; histone deacetylase; ligand unbinding; molecular dynamics; random acceleration molecular dynamics

Indexed keywords

CHANNELS; CLASSICAL MOLECULAR DYNAMICS; DYNAMICAL CHARACTERIZATION; HISTONE DEACETYLASES; MOLECULAR CHANNELS; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL INSIGHTS; X RAY CRYSTAL STRUCTURES;

ENZYMES; HYDROGEN BONDS; MOLECULAR DYNAMICS;

LIGANDS;

BENZAMIDE DERIVATIVE; HISTONE DEACETYLASE; HISTONE DEACETYLASE INHIBITOR; LIGAND;

ARTICLE; CHANNELS; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; LIGAND UNBINDING; METABOLISM; MOLECULAR DYNAMICS; RANDOM ACCELERATION MOLECULAR DYNAMICS; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

CHANNELS; HISTONE DEACETYLASE; LIGAND UNBINDING; MOLECULAR DYNAMICS; RANDOM ACCELERATION MOLECULAR DYNAMICS;

BENZAMIDES; CRYSTALLOGRAPHY, X-RAY; HISTONE DEACETYLASE INHIBITORS; HISTONE DEACETYLASES; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84883743717 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23390 Document Type: Article

Times cited : (16)

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