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Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

Understanding the structural determinants of a protein’s biochemical properties, such as activity and stability, is a major challenge in biology and medicine. Comparing computer simulations of protein variants with different biochemical properties is an increasingly powerful means to drive progress....

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Vydáno v:Nat Commun
Hlavní autoři: Ward, Michael D., Zimmerman, Maxwell I., Meller, Artur, Chung, Moses, Swamidass, S. J., Bowman, Gregory R.
Médium: Artigo
Jazyk:Inglês
Vydáno: Nature Publishing Group UK 2021
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC8140102/
https://ncbi.nlm.nih.gov/pubmed/34021153
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-021-23246-1
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