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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
Autores principales: Alice Glättli, Chris Oostenbrink, Xavier Daura, Daan P. Geerke, Haibo Yu, Wilfred F. van Gunsteren
Formato: Artigo
Lenguaje:Inglês
Publicado: Sociedade Brasileira de Física 2004
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Acceso en línea:https://www.redalyc.org/articulo.oa?id=46434114
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