Identifying localized changes in large systems: Change-point detection for biomolecular simulations

Proceedings of the National Academy of Sciences of the United States of America

Volumn 112, Issue 24, 2015, Pages 1-6

  Fan, Zhou ^a,c   Dror, Ron O ^a,d   Mildorf, Thomas J ^a   Piana, Stefano ^a   Shaw, David E ^a,b  

^a D E SHAW RESEARCH   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c STANFORD UNIVERSITY   (United States)

^d Stanford University   (United States)

Author keywords

Conformational change; Molecular dynamics; Multivariate; Penalized maximum likelihood; SIMPLE

Indexed keywords

APROTININ; BETA 2 ADRENERGIC RECEPTOR; BETA ADRENERGIC RECEPTOR BLOCKING AGENT; PROTEIN;

ALGORITHM; ARTICLE; ATOM; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG TARGETING; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULE; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN FOLDING; PROTEIN LOCALIZATION; PROTEIN STRUCTURE; PROTEIN UNFOLDING; STATISTICAL ANALYSIS; TIME SERIES ANALYSIS; BIOPHYSICS; CHEMISTRY; PROTEIN CONFORMATION; STATISTICAL MODEL; STATISTICS AND NUMERICAL DATA;

ALGORITHMS; BIOPHYSICAL PHENOMENA; LIKELIHOOD FUNCTIONS; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEINS;

EID: 84935917119     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1415846112     Document Type: Article

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