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Molecular dynamics simulations data of the twenty encoded amino acids in different force fields
We present extensive all-atom Molecular Dynamics (MD) simulation data of the twenty encoded amino acids in explicit water, simulated with different force fields. The termini of the amino acids have been capped to ensure that the dynamics of the Φ and ψ torsion angles are analogues to the dynamics wi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4802541/ https://www.ncbi.nlm.nih.gov/pubmed/27054161 http://dx.doi.org/10.1016/j.dib.2016.02.086 |