Accelerated molecular dynamics in computational drug design

Methods in Molecular Biology

Volumn 819, Issue , 2012, Pages 515-524

  Wereszczynski, Jeff ^a   McCammon, J Andrew ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HOWARD HUGHES MEDICAL INSTITUTE   (United States)

Author keywords

Alchemical free energy transformations; Conformational sampling; Molecular dynamics

Indexed keywords

OSELTAMIVIR; SIALIDASE;

ARTICLE; BIOLOGY; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; METABOLISM; METHODOLOGY; MOLECULAR DYNAMICS; THERMODYNAMICS;

COMPUTATIONAL BIOLOGY; DRUG DESIGN; HUMANS; MOLECULAR DYNAMICS SIMULATION; NEURAMINIDASE; OSELTAMIVIR; THERMODYNAMICS;

EID: 84855930907     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-465-0_30     Document Type: Article

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