Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
Open-source protein-based pharmacophore modeling software
Python API for Pharmer
This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)
Consensus pharmacophore for Drug Design
Pharmacophores Study Group
MolPro is a comprehensive python package for small molecule generation using protein active site or/and similar molecules using 3D information of molecules with in-silico validation of molecules by docking , pharmacophore hypothesis. Also off target prediction based on the binding site similarities.
A web server for protein cavity detection with pharmacophore modeling, allosteric site identification and covalent ligand binding ability prediction.
CavityPlus
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