Helix formation in a pentapeptide: Experiment and force-field dependent dynamics

Journal of Physical Chemistry A

Volumn 114, Issue 47, 2010, Pages 12391-12402

  Hegefeld, Wendy A ^a   Chen, Shen En ^a   Deleon, Kristine Y ^a   Kuczera, Krzysztof ^b   Jas, Gouri S ^a  

^a BAYLOR UNIVERSITY   (United States)

^b UNIVERSITY OF KANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BUFFER SOLUTIONS; C-TERMINUS; COOPERATIVITY; DIRECT MOLECULAR DYNAMICS; ENERGY PARAMETERS; EXPERIMENTAL DATA; EXPLICIT SOLVENTS; FOLDING KINETICS; FOLDING PATHWAY; FORCE FIELDS; FTIR; HELICAL STATE; HELIX FORMATION; HELIX-COIL TRANSITIONS; LIMITING FACTORS; MELTING CURVES; MOLECULAR SIMULATIONS; NMR MEASUREMENTS; RELIABLE ESTIMATES; REPLICA EXCHANGE SIMULATION; STATISTICAL ANALYSIS; STRUCTURAL CHARACTERIZATION; TRANSITION PATHS; UV CIRCULAR DICHROISM;

CIRCULAR DICHROISM SPECTROSCOPY; DICHROISM; MOLECULAR DYNAMICS;

POPULATION STATISTICS;

PEPTIDE;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; COMPUTER SIMULATION; HYDROGEN BOND; INFRARED SPECTROSCOPY; KINETICS; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; PROTEIN TERTIARY STRUCTURE; TEMPERATURE; THERMODYNAMICS; ULTRAVIOLET RADIATION;

CIRCULAR DICHROISM; COMPUTER SIMULATION; HYDROGEN BONDING; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; PEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; TEMPERATURE; THERMODYNAMICS; ULTRAVIOLET RAYS;

EID: 78649599129     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp102612d     Document Type: Article

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