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