Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations

Proteins: Structure, Function and Genetics

Volumn 57, Issue 4, 2004, Pages 783-791

  Faraldo Gómez, José D ^a   Forrest, Lucy R ^b   Baaden, Marc ^c   Bond, Peter J ^d   Domene, Carmen ^e   Patargias, George ^d   Cuthbertson, Jonathan ^d   Sansom, Mark S P ^d  

^a WEILL CORNELL MEDICAL COLLEGE   (United States)

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

^c INST DE BIOLOGIE PHYSICO CHIMIQUE   (France)

^d UNIVERSITY OF OXFORD   (United Kingdom)

^e UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Conformational space; Convergence; Covariance analysis; Debye Waller B factors; Ergodicity; Essential dynamics; Molecular dynamics; Phase space; Principal component analysis

Indexed keywords

GRAMICIDIN; MEMBRANE PROTEIN; PROTEIN FEPA; PROTEIN OMPT; RHODOPSIN; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER SIMULATION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR SIZE; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; PROTEIN STRUCTURE; QUANTITATIVE ANALYSIS; SAMPLING;

COMPUTER SIMULATION; MEMBRANE PROTEINS; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION;

EID: 10344261477     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20257     Document Type: Article

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