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How well do force fields capture the strength of salt bridges in proteins?

Salt bridges form between pairs of ionisable residues in close proximity and are important interactions in proteins. While salt bridges are known to be important both for protein stability, recognition and regulation, we still do not have fully accurate predictive models to assess the energetic cont...

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Detalles Bibliográficos
Autores principales: Ahmed, Mustapha Carab, Papaleo, Elena, Lindorff-Larsen, Kresten
Formato: Online Artículo Texto
Lenguaje:English
Publicado: PeerJ Inc. 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6001725/
https://www.ncbi.nlm.nih.gov/pubmed/29910983
http://dx.doi.org/10.7717/peerj.4967