Common Force Field Thermodynamics of Cholesterol
Joint Authors
Giangreco, Francesco
Yamamoto, Eiji
Hirano, Yoshinori
Hodoscek, Milan
Knecht, Volker
di Giosia, Matteo
Calvaresi, Matteo
Zerbetto, Francesco
Yasuoka, Kenji
Narumi, Tetsu
Yasui, Masato
Höfinger, Siegfried
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-11-05
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Medicine
Information Technology and Computer Science
Abstract EN
Four different force fields are examined for dynamiccharacteristics using cholesterol as a case study.
Theextent to which various types of internal degreesof freedom become thermodynamically relevant isevaluated by means of principal component analysis.
More complex degrees of freedom (angle bending,dihedral rotations) show a trend towards forcefield independence.
Moreover, charge assignmentsfor membrane-embedded compounds are revealed to be critical with significant impact on biological reasoning.
American Psychological Association (APA)
Giangreco, Francesco& Yamamoto, Eiji& Hirano, Yoshinori& Hodoscek, Milan& Knecht, Volker& di Giosia, Matteo…[et al.]. 2013. Common Force Field Thermodynamics of Cholesterol. The Scientific World Journal،Vol. 2013, no. 2013, pp.1-7.
https://search.emarefa.net/detail/BIM-1032656
Modern Language Association (MLA)
Giangreco, Francesco…[et al.]. Common Force Field Thermodynamics of Cholesterol. The Scientific World Journal No. 2013 (2013), pp.1-7.
https://search.emarefa.net/detail/BIM-1032656
American Medical Association (AMA)
Giangreco, Francesco& Yamamoto, Eiji& Hirano, Yoshinori& Hodoscek, Milan& Knecht, Volker& di Giosia, Matteo…[et al.]. Common Force Field Thermodynamics of Cholesterol. The Scientific World Journal. 2013. Vol. 2013, no. 2013, pp.1-7.
https://search.emarefa.net/detail/BIM-1032656
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1032656
