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The design of functional proteins using tensorized energy calculations

In protein design, the energy associated with a huge number of sequence-conformer perturbations has to be routinely estimated. Hence, enhancing the throughput and accuracy of these energy calculations can profoundly improve design success rates and enable tackling more complex design problems. In th...

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Detalles Bibliográficos
Autores principales: Maksymenko, Kateryna, Maurer, Andreas, Aghaallaei, Narges, Barry, Caroline, Borbarán-Bravo, Natalia, Ullrich, Timo, Dijkstra, Tjeerd M.H., Hernandez Alvarez, Birte, Müller, Patrick, Lupas, Andrei N., Skokowa, Julia, ElGamacy, Mohammad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10475850/
https://www.ncbi.nlm.nih.gov/pubmed/37671023
http://dx.doi.org/10.1016/j.crmeth.2023.100560