/tools/watvina

watvina

biocheming/watvina

70 stars15 forksJupyter NotebookAdded February 4, 2026
summary

Watvina is a docking tool that facilitates drug design by supporting both explicit and implicit water models in protein-ligand interactions. It allows for pharmacophore and position-constrained docking, optimizing ligand interactions with receptors using the Autodock Vina engine.

description

implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking

topics

autodock-vinamolecular-dockingwater-dockingdrug-designwatvinapharmacophore

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