Markov State Models to Study the Functional Dynamics of Proteins in the Wake of Machine Learning

[Image: see text] Markov state models (MSMs) based on molecular dynamics (MD) simulations are routinely employed to study protein folding, however, their application to functional conformational changes of biomolecules is still limited. In the past few years, the field of computational chemistry has...

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Detalles Bibliográficos
Autores principales: Konovalov, Kirill A., Unarta, Ilona Christy, Cao, Siqin, Goonetilleke, Eshani C., Huang, Xuhui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479766/
https://www.ncbi.nlm.nih.gov/pubmed/34604842
http://dx.doi.org/10.1021/jacsau.1c00254

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479766/
https://www.ncbi.nlm.nih.gov/pubmed/34604842
http://dx.doi.org/10.1021/jacsau.1c00254

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