A matrix representation for the geometrical algorithm to search the conformational space (GASCOS) for flexible linear molecules

Journal of Molecular Structure: THEOCHEM

Volumn 571, Issue 1-3, 2001, Pages 91-98

  Santagata, L N ^a   Suvire, F D ^a   Enriz, R D ^a  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

Author keywords

Conformational space; Flexible molecules; Geometrical search; Matrix equations; Molecular folding; Non bonded distances; Side chain interaction in proteins

Indexed keywords

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CONFORMATIONAL TRANSITION; GEOMETRY; MOLECULE; PROTEIN FOLDING; PROTEIN INTERACTION;

EID: 0035959185     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00571-1     Document Type: Article

References (7)

1. Multidimensional theoretical stereochemistry and conformational potential energy surface topology