Structure and energy landscape of a photoswitchable peptide: A replica exchange molecular dynamics study

Proteins: Structure, Function and Genetics

Volumn 60, Issue 3, 2005, Pages 485-494

  Nguyen, Phuong H ^a   Mu, Yuguang ^a,b   Stock, Gerhard ^a  

^a GOETHE UNIVERSITY   (Germany)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

Azobenzene peptide; Conformational sampling principal component analysis; Conformational transitions; Free energy landscape; Replica exchange molecular dynamics

Indexed keywords

AZOBENZENE DERIVATIVE; DIMETHYL SULFOXIDE;

ARTICLE; CIS TRANS ISOMERISM; CONFORMATIONAL TRANSITION; ENERGY TRANSFER; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN STRUCTURE; ROOM TEMPERATURE; TEMPERATURE;

ALGORITHMS; AMINO ACID SEQUENCE; AZO COMPOUNDS; COMPUTER SIMULATION; DIMETHYL SULFOXIDE; LIGHT; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR CONFORMATION; PEPTIDES; POLYMERS; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; PROTEIN DENATURATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEINS; SOFTWARE; SOLUTIONS; TEMPERATURE; THERMODYNAMICS;

EID: 23044505919     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20485     Document Type: Article

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