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Towards an optimal monoclonal antibody with higher binding affinity to the receptor-binding domain of SARS-CoV-2 spike proteins from different variants

A highly efficient and robust multiple scales in silico protocol, consisting of atomistic Molecular Dynamics (MD), coarse-grain (CG) MD, and constant-pH CG Monte Carlo (MC), has been developed and used to study the binding affinities of selected antigen-binding fragments of the monoclonal antibody (...

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Detalles Bibliográficos
Autores principales:	Neamtu, Andrei, Mocci, Francesca, Laaksonen, Aatto, Barroso da Silva, Fernando L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9617679/ https://www.ncbi.nlm.nih.gov/pubmed/36375294 http://dx.doi.org/10.1016/j.colsurfb.2022.112986

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