Comparing Fragment Binding PosesPrediction Using HSP90 as a Key Study: When Bound Water Makes the Difference
Fragment-Based Drug Discovery (FBDD) approaches <i>have gained popularity</i>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 challengin...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-10-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/25/20/4651 |