Comparative molecular dynamics simulations of histone deacetylase-like protein: Binding modes and free energy analysis to hydroxamic acid inhibitors

Proteins: Structure, Function and Genetics

Volumn 73, Issue 1, 2008, Pages 134-149

  Yan, Chunli ^a   Xiu, Zhilong ^a   Li, Xiaohui ^a   Li, Shenmin ^b   Hao, Ce ^a,c   Teng, Hu ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b DALIAN UNIVERSITY   (China)

^c INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

Histone deacetylase; Histone deacetylase like protein; Hydroxamic acid inhibitor; Molecular dynamics simulation; Molecular mechanics generalized born surface area (MM GBSA); Molecular mechanics Poisson Boltzmann surface area (MM PBSA) method; Mutagenesis

Indexed keywords

CG 1521; HISTONE DEACETYLASE INHIBITOR; SK 683; TRICHOSTATIN A; UNCLASSIFIED DRUG; VORINOSTAT;

ARTICLE; COMPARATIVE STUDY; DRUG ACTIVITY; DRUG BINDING; ENERGY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; SOLVATION;

ANIMALS; ANTINEOPLASTIC AGENTS; BACTERIA; COMPUTER SIMULATION; ENZYME INHIBITORS; HISTONE DEACETYLASES; HUMANS; HYDROXAMIC ACIDS;

EID: 50849136880     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22047     Document Type: Article

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