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Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/5729

Title: The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions
Authors: Paramonov, L
Yaliraki, SN
Keywords: Molecular biophysics
Proteins
Publication Date: 2005
Publisher: American Institute of Physics
Citation: Journal of Chemical Physics, 123(19): 194111, 2005
Abstract: We obtain the distance of closest approach of the surfaces of two arbitrary ellipsoids valid at any orientation and separation measured along their intercenter vector. This directional distance is derived from the elliptic contact function. The geometric meaning behind this approach is clarified. An elliptic pair potential for modeling arbitrary mixtures of elliptic particles, whether hard or soft, is proposed based on this distance. Comparisons with Gay-Berne potentials are discussed. Analytic expressions for the forces and torques acting on the elliptic particles are given.
Description: Copyright @ 2005 American Institute of Physics.
Sponsorship: This research has been supported by GlaxoSmith-Kline
URI: http://jcp.aip.org/resource/1/jcpsa6/v123/i19/p194111_s1
http://bura.brunel.ac.uk/handle/2438/5729
DOI: http://dx.doi.org/10.1063/1.2102897
ISSN: 0021-9606
Appears in Collections:Advanced Manufacturing and Enterprise Engineering (AMEE)
Dept of Design Research Papers

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