Conformational space exploration of met- and leu-enkephalin using the MOLS method, molecular dynamics, and monte carlo simulation-a comparative study

Biopolymers

Volumn 97, Issue 3, 2012, Pages 165-176

  Ramya, L ^a   Gautham, N ^a  

^a UNIVERSITY OF MADRAS   (India)

Author keywords

conformational energy landscape; molecular dynamics; MOLS sampling; Monte Carlo simulation; sample overlap procedure

Indexed keywords

COMPARATIVE STUDIES; CONFORMATIONAL ENERGIES; CONFORMATIONAL SPACE; EXPERIMENTAL DESIGN TECHNIQUES; FORCE FIELDS; LOW-ENERGY CONFORMATIONS; MC SIMULATION; MONTE CARLO; MONTE CARLO SIMULATION; MONTE CARLO SIMULATIONS; MUTUALLY ORTHOGONAL LATIN SQUARES; NEUROPEPTIDES; SAMPLE OVERLAP PROCEDURE;

COMPUTER SIMULATION; CONFORMATIONS; DYNAMICS; MOLECULAR DYNAMICS; POLYPEPTIDES; RESPIRATORY MECHANICS; SPACE RESEARCH;

MONTE CARLO METHODS;

ENKEPHALIN; LEUCINE; METHIONINE;

ARTICLE; COMPARATIVE STUDY; CONFORMATION; EXPERIMENTAL DESIGN; LABORATORY; MOLECULAR DYNAMICS; MONTE CARLO METHOD;

COMPUTATIONAL BIOLOGY; ENKEPHALIN, LEUCINE; ENKEPHALIN, METHIONINE; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; PROTEIN CONFORMATION;

EID: 83955162897     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21721     Document Type: Article

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