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Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and Proteins
[Image: see text] The GROMOS 54A8 force field [Reif et al. J. Chem. Theory Comput.2012, 8, 3705–3723] is the first of its kind to contain nonbonded parameters for charged amino acid side chains that are derived in a rigorously thermodynamic fashion, namely a calibration against single-ion hydration...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3572754/ https://www.ncbi.nlm.nih.gov/pubmed/23418406 http://dx.doi.org/10.1021/ct300874c |