Low-mass molecular dynamics simulation: A simple and generic technique to enhance configurational sampling

Biochemical and Biophysical Research Communications

Volumn 452, Issue 3, 2014, Pages 588-592

  Pang, Yuan Ping ^a  

^a MAYO CLINIC   (United States)

Author keywords

Chignolin analogue; Configurational sampling enhancement; Fast folding miniature protein; Isothermal isobaric ensemble; Protein folding; Hairpin

Indexed keywords

CLN025 PROTEIN; PROTEIN; UNCLASSIFIED DRUG; OLIGOPEPTIDE; YYDPETGTWY;

ANALYTIC METHOD; ARTICLE; ATOMIC PARTICLE; COMPUTER ANALYSIS; EXPERIMENTAL STUDY; LOW MASS MOLECULAR DYNAMICS SIMULATION; MAGNETIC FIELD; MOLECULAR DYNAMICS; PARTICLE SIZE; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN FOLDING; ALGORITHM; CHEMISTRY; KINETICS; MOLECULAR WEIGHT; PROTEIN SECONDARY STRUCTURE; STATISTICS AND NUMERICAL DATA; THERMODYNAMICS;

ALGORITHMS; KINETICS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR WEIGHT; OLIGOPEPTIDES; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 84907487161     PISSN: 0006291X     EISSN: 10902104     Source Type: Journal    
DOI: 10.1016/j.bbrc.2014.08.119     Document Type: Article

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