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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...

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Detalles Bibliográficos
Autores principales: Margreitter, Christian, Oostenbrink, Chris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
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