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The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005);J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to determine an interaction potential for a CG model from simulations of an atomically detailed model of the same system. The...
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| Main Authors: | , , , , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Institute of Physics
2008
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2671180/ https://ncbi.nlm.nih.gov/pubmed/18601325 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2938857 |
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