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On the transferability of the SPC/L water model to biomolecular simulation
We investigated the performance of the recently developed SPC/L model for liquid water, as a pure liquid, inbinary mixtures with DMSO, and as a solvent model in a peptide folding simulation. Additionally, in orderto test the compatibility with the GROMOS biomolecular force field, free energies of hy...
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| Publicado en: | Brazilian Journal of Physics |
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| Autores principales: | , , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Sociedade Brasileira de Física
2004
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| Materias: | |
| Acceso en línea: | https://www.redalyc.org/articulo.oa?id=46434114 |
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