Common force field thermodynamics of cholesterol.
ScientificWorldJournal
; 2013: 207287, 2013.
Article
en En
| MEDLINE
| ID: mdl-24302856
ABSTRACT
Four different force fields are examined for dynamic characteristics using cholesterol as a case study. The extent to which various types of internal degrees of freedom become thermodynamically relevant is evaluated by means of principal component analysis. More complex degrees of freedom (angle bending, dihedral rotations) show a trend towards force field independence. Moreover, charge assignments for membrane-embedded compounds are revealed to be critical with significant impact on biological reasoning.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Termodinámica
/
Colesterol
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
ScientificWorldJournal
Asunto de la revista:
MEDICINA
Año:
2013
Tipo del documento:
Article
País de afiliación:
Italia