Novel, provable algorithms for efficient ensemble-based computational protein design and their application to the redesign of the c-Raf-RBD:KRas protein-protein interface

The K* algorithm provably approximates partition functions for a set of states (e.g., protein, ligand, and protein-ligand complex) to a user-specified accuracy ε. Often, reaching an ε-approximation for a particular set of partition functions takes a prohibitive amount of time and space. To alleviate...

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Detalles Bibliográficos
Autores principales: Lowegard, Anna U., Frenkel, Marcel S., Holt, Graham T., Jou, Jonathan D., Ojewole, Adegoke A., Donald, Bruce R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7329130/
https://www.ncbi.nlm.nih.gov/pubmed/32511232
http://dx.doi.org/10.1371/journal.pcbi.1007447

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7329130/
https://www.ncbi.nlm.nih.gov/pubmed/32511232
http://dx.doi.org/10.1371/journal.pcbi.1007447

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