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Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields
Hybrid all-atom/coarse-grained (AA/CG) simulations of proteins offer a computationally efficient compromise where atomistic details are only applied to biologically relevant regions while benefitting from the speedup of treating the remaining parts of a given system at the CG level. The recently dev...
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| Publicat a: | J Chem Theory Comput |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5685893/ https://ncbi.nlm.nih.gov/pubmed/28992696 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00840 |
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