Comparison of the potentials of mean force for alanine tetrapeptide between integral equation theory and simulation

Biophysical Chemistry

Volumn 78, Issue 1-2, 1999, Pages 113-126

  Prabhu, Ninad V ^a   Perkyns, John S ^a   Blatt, Herb D ^a   Smith, Paul E ^b   Pettitt, B Montgomery ^a  

^a University of Houston   (United States)

^b KANSAS STATE UNIVERSITY   (United States)

Author keywords

Alanine; Integral equation; Molecular dynamics; PMF; Simulation; Solvent model; Stochastic dynamics

Indexed keywords

POLYALANINE; TETRAPEPTIDE; UNCLASSIFIED DRUG;

CONFERENCE PAPER; DIELECTRIC CONSTANT; INTERMETHOD COMPARISON; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; TECHNIQUE; TEMPERATURE; THEORY;

ALGORITHMS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ELECTROCHEMISTRY; HAPTENS; OLIGOPEPTIDES; PROTEIN CONFORMATION; STOCHASTIC PROCESSES; WATER;

EID: 0033007965     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-4622(99)00014-9     Document Type: Conference Paper

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