Molecular dynamics/order parameter extrapolation for bionanosystem simulations

A multiscale approach, molecular dynamics/order parameter extrapolation (MD/OPX), to the all-atom simulation of large bionanosystems is presented. The approach starts with the introduction of a set of order parameters (OPs) automatically generated with orthogonal polynomials to characterize the nano...

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Publié dans:	Journal of computational chemistry. - 1984. - 30(2009), 3 vom: 01. Feb., Seite 423-37
Auteur principal:	Miao, Yinglong (Auteur)
Autres auteurs:	Ortoleva, Peter J
Format:	Article en ligne
Langue:	English
Publié:	2009
Accès à la collection:	Journal of computational chemistry
Sujets:	Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, P.H.S. Capsid Proteins