Geometry optimization for peptides and proteins: Comparison of Cartesian and internal coordinates

Journal of Chemical Physics

Volumn 127, Issue 23, 2007, Pages

  Koslover, Elena F ^a   Wales, David J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; COMPUTATIONAL COMPLEXITY; COMPUTATIONAL GEOMETRY; OPTIMIZATION; PARAMETER ESTIMATION;

COORDINATE SYSTEMS; QUASI-NEWTON MINIMIZATION;

POLYPEPTIDES;

PEPTIDE; PROTEIN;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; MOLECULAR WEIGHT; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE;

COMPUTER SIMULATION; MOLECULAR WEIGHT; PEPTIDES; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PROTEINS;

EID: 37549024965     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2807227     Document Type: Article

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