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A perspective on the sharing of docking data

Computational approaches are nowadays largely applied in drug discovery projects. Among these, molecular docking is the most used for hit identification against a drug target protein. However, many scientists in the field shed light on the lack of availability and reproducibility of the data obtaine...

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Detalles Bibliográficos
Autores principales: Aci-Sèche, Samia, Bourg, Stéphane, Bonnet, Pascal, Rebehmed, Joseph, de Brevern, Alexandre G., Diharce, Julien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10365938/
https://www.ncbi.nlm.nih.gov/pubmed/37492229
http://dx.doi.org/10.1016/j.dib.2023.109386