Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers

[Image: see text] Recently, predicting the native structures of proteins has become possible using computational molecular physics (CMP)—physics-based force fields sampled with proper statistics—but only for small proteins. Algorithms with better scaling are needed. We describe ML x MELD x MD, a mol...

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Detalles Bibliográficos
Autores principales: Nassar, Roy, Brini, Emiliano, Parui, Sridip, Liu, Cong, Dignon, Gregory L., Dill, Ken A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281603/
https://www.ncbi.nlm.nih.gov/pubmed/35133832
http://dx.doi.org/10.1021/acs.jctc.1c00916

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281603/
https://www.ncbi.nlm.nih.gov/pubmed/35133832
http://dx.doi.org/10.1021/acs.jctc.1c00916

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