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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...
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 |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2023
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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 |
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