Comparing Fragment Binding PosesPrediction Using HSP90 as a Key Study: When Bound Water Makes the Difference

Fragment-Based Drug Discovery (FBDD) approaches have gained popularitynot only in industry but also in academic research institutes. However, the computational prediction of the binding mode adopted by fragment-like molecules within a protein binding site is still a very challenging task. One of the...

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Detalles Bibliográficos
Autores principales: Bolcato, Giovanni, Bissaro, Maicol, Sturlese, Mattia, Moro, Stefano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7587341/
https://www.ncbi.nlm.nih.gov/pubmed/33053878
http://dx.doi.org/10.3390/molecules25204651

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7587341/
https://www.ncbi.nlm.nih.gov/pubmed/33053878
http://dx.doi.org/10.3390/molecules25204651

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