Global energy minimization of alanine dipeptide via barrier function methods

Computational Biology and Chemistry

Volumn 35, Issue 1, 2011, Pages 19-23

  Ng, Kien Ming ^a   Solayappan, Muthu ^a   Poh, Kim Leng ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Barrier function method; Energy minimization; Global optimization; Protein structure prediction

Indexed keywords

ALANINE DIPEPTIDES; BARRIER FUNCTIONS; ENERGY EQUATION; ENERGY FUNCTIONS; ENERGY MINIMIZATION; GENETIC ALGORITHM APPROACH; GLOBAL ENERGY; INTERIOR POINT METHODS; INTERNAL COORDINATES; LENNARD JONES; MINIMUM ENERGY; POLYALANINE; PROTEIN STRUCTURE PREDICTION; VAN DER WAALS INTERACTIONS;

ALGORITHMS; AMINO ACIDS; DIHEDRAL ANGLE; ELECTRON ENERGY LEVELS; GLOBAL OPTIMIZATION; PEPTIDES; VAN DER WAALS FORCES;

STRUCTURAL OPTIMIZATION;

ALANINE; DIPEPTIDE;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

ALANINE; ALGORITHMS; COMPUTER SIMULATION; DIPEPTIDES; QUANTUM THEORY; THERMODYNAMICS;

EID: 79952315443     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2010.12.003     Document Type: Article

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