Timeline for Why is it necessary to add hydrogen and delete water before protein-ligand docking?
Current License: CC BY-SA 4.0
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| when toggle format | what | by | license | comment | |
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| Dec 14, 2019 at 15:36 | comment | added | Matteo Ferla | Totally correct for MD. However, a wee note: most ligand docking program use implicit water (except special case such as WaterDock), which means that TIP3P waters or similar are not added, but a fudge factor is used to account for the dynamic but stabilising polar properties of water. | |
| Nov 14, 2019 at 14:46 | history | answered | fra | CC BY-SA 4.0 |