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

Fragment-Based Drug Discovery (FBDD) approaches have gained popularity not 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 th...

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Bibliographic Details
Main Authors: Giovanni Bolcato, Maicol Bissaro, Mattia Sturlese, Stefano Moro
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/25/20/4651