Prediction and Validation of a Protein’s Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence

[Image: see text] The denaturant dependence of hydrogen–deuterium exchange (HDX) is a powerful measurement to identify the breaking of individual H-bonds and map the free energy surface (FES) of a protein including the very rare states. Molecular dynamics (MD) can identify each partial unfolding eve...

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Detalles Bibliográficos
Autores principales: Peng, Xiangda, Baxa, Michael, Faruk, Nabil, Sachleben, Joseph R., Pintscher, Sebastian, Gagnon, Isabelle A., Houliston, Scott, Arrowsmith, Cheryl H., Freed, Karl F., Rocklin, Gabriel J., Sosnick, Tobin R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8757463/
https://www.ncbi.nlm.nih.gov/pubmed/34936354
http://dx.doi.org/10.1021/acs.jctc.1c00960

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