Mimicking titration experiments with MD simulations: A protocol for the investigation of pH-dependent effects on proteins

Protein structure and function are highly dependent on the environmental pH. However, the temporal or spatial resolution of experimental approaches hampers direct observation of pH-induced conformational changes at the atomic level. Molecular dynamics (MD) simulation strategies (e.g. constant pH MD)...

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Detalles Bibliográficos
Autores principales: Socher, Eileen, Sticht, Heinrich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4776130/
https://www.ncbi.nlm.nih.gov/pubmed/26936826
http://dx.doi.org/10.1038/srep22523

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4776130/
https://www.ncbi.nlm.nih.gov/pubmed/26936826
http://dx.doi.org/10.1038/srep22523

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