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Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters

[Image: see text] The dynamic and energetic properties of the alkali and halide ions were calculated using molecular dynamics (MD) and free energy simulations with various different water and ion force fields including our recently developed water-model-specific ion parameters. The properties calcul...

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Autors principals: Joung, In Suk, Cheatham, Thomas E.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2009
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2755304/
https://ncbi.nlm.nih.gov/pubmed/19757835
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp902584c
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