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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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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2009
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| Matèries: | |
| Accés en línia: | 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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