Structural insights for designed alanine-rich helices: Comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation

Biopolymers

Volumn 89, Issue 9, 2008, Pages 747-760

  Song, Kun ^a   Stewart, James M ^b   Fesinmeyer, R Matthew ^b   Andersen, Niels H ^b   Simmerling, Carlos ^a  

^a STONY BROOK UNIVERSITY   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

Alpha helix; NMR; Peptides models; Protein folding; Simulation

Indexed keywords

AMINES; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY;

ALPHA HELIX; CONFORMATIONAL ENSEMBLES; HELICITY; MOLECULAR DYNAMICS SIMULATION; NMR; PEPTIDES MODELS; PROTEIN FOLDING; SIMULATION; STRUCTURAL INSIGHTS; TEMPERATURE DEPENDENCES;

DYNAMICS;

ALANINE; ARGININE; LYSINE; OLIGOPEPTIDE;

ALPHA HELIX; AMINO ACID SEQUENCE; ARTICLE; CARBOXY TERMINAL SEQUENCE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN FUNCTION; QUANTITATIVE ANALYSIS; SEQUENCE ANALYSIS; SIMULATION; TEMPERATURE DEPENDENCE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOPEPTIDES; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 49649105768     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21004     Document Type: Article

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