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Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting
[Image: see text] Molecular dynamics simulations depend critically on the accuracy of the underlying force fields in properly representing biomolecules. Hence, it is crucial to validate the force-field parameter sets in this respect. In the context of the GROMOS force field, this is usually achieved...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5039763/ https://www.ncbi.nlm.nih.gov/pubmed/27559757 http://dx.doi.org/10.1021/acs.jcim.6b00399 |