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An optimized thermodynamics integration protocol for identifying beneficial mutations in antibody design
Accurate identification of beneficial mutations is central to antibody design. Many knowledge-based (KB) computational approaches have been developed to predict beneficial mutations, but their accuracy leaves room for improvement. Thermodynamic integration (TI) is an alchemical free energy algorithm...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10235760/ https://www.ncbi.nlm.nih.gov/pubmed/37275896 http://dx.doi.org/10.3389/fimmu.2023.1190416 |