A molecular dynamics ensemble-based approach for the mapping of druggable binding sites

Methods in Molecular Biology

Volumn 819, Issue , 2012, Pages 3-12

  Ivetac, Anthony ^a   McCammon, J Andrew ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HOWARD HUGHES MEDICAL INSTITUTE   (United States)

Author keywords

Allosteric; Binding site; Docking; Drug design; Molecular dynamics simulation

Indexed keywords

DRUG; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; BIOLOGY; CHEMISTRY; HUMAN; METABOLISM; METHODOLOGY; MOLECULAR DYNAMICS; PROTEIN CONFORMATION;

ALGORITHMS; BINDING SITES; COMPUTATIONAL BIOLOGY; HUMANS; MOLECULAR DYNAMICS SIMULATION; PHARMACEUTICAL PREPARATIONS; PROTEIN CONFORMATION; PROTEINS;

EID: 84855955506     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-465-0_1     Document Type: Article

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