Conformational study of the pcu cage monopeptide: a key role of some force-field parameters

Journal of Physical Chemistry B

Volumn 113, Issue 15, 2009, Pages 5234-5238

  Bisetty, Krishna ^a,b   Perez, Juan J ^a,b  

^a DURBAN UNIVERSITY OF TECHNOLOGY   (South Africa)

^b UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

RAYON FABRICS;

AB-INITIO CALCULATIONS; BENDING PARAMETERS; BOND-STRETCHING; CONFORMATIONAL STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; FIELD PARAMETERS; MINIMUM-ENERGY STRUCTURES; SIDE CHAINS; SIMPLE MODIFICATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 65249173931     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8091946     Document Type: Article

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