Work

Common Force Field Thermodynamics of Cholesterol

Year: 2013

Type: article

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.

Source: The Scientific World JOURNAL

DOI: 10.1155/2013/207287

Authors: Francesco Giangreco, Eiji Yamamoto, Yoshinori Hirano, Milan Hodoscek, Volker Knecht, Matteo di Giosia, Matteo Calvaresi, Francesco Zerbetto, Kenji Yasuoka, Tetsu Narumi, Masato Yasui, Siegfried Höfinger

Institutions: University of Bologna, Keio University, RIKEN, National Institute of Chemistry, University of Freiburg, University of Electro-Communications, Keio University Hospital, Michigan Technological University

Language: English

Topic: Lipid Membrane Structure and Behavior

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: gold

Estimated APC paid: $860

Funder: European Commission

Award: Implantable Organic Nano-Electronics

OpenAlex ID: W2121355449

FWCI:

Cites: 43

Cited by: 2

Related to: 10