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Molecular Dynamics/Order Parameter eXtrapolation (MD/OPX) 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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Bibliographic Details
Main Authors: Miao, Yinglong, Ortoleva, Peter J.
Format: Artigo
Language:Inglês
Published: 2009
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3351762/
https://ncbi.nlm.nih.gov/pubmed/18636559
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21071
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