Solvated interaction energy: from small-molecule to antibody drug design

Scoring functions are ubiquitous in structure-based drug design as an aid to predicting binding modes and estimating binding affinities. Ideally, a scoring function should be broadly applicable, obviating the need to recalibrate and refit its parameters for every new target and class of ligands. Tra...

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Detalles Bibliográficos
Autores principales: Purisima, Enrico O., Corbeil, Christopher R., Gaudreault, Francis, Wei, Wanlei, Deprez, Christophe, Sulea, Traian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10282643/
https://www.ncbi.nlm.nih.gov/pubmed/37351549
http://dx.doi.org/10.3389/fmolb.2023.1210576

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10282643/
https://www.ncbi.nlm.nih.gov/pubmed/37351549
http://dx.doi.org/10.3389/fmolb.2023.1210576

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