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LigandScout
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LigandScout 3.12   
Price: FREE / Trialware
LigandScout is a fully integrated platform for accurate virtual screening based on 3D chemical feature pharmacophore models. ...
LigandScout Pharmacophore chemical model virtual screening 3D chemical model Pharmacophore Modeling Ligand Pharmacophore export molecular docking molecule software structure-based design
PyRx
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PyRx 0.8   
Price: FREE / Freeware
PyRx is a Virtual Screening software for Computational Drug Discovery that can be ... drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in ...
drug discovery process analyzer molecular docking drug discovery analysis comprehensive efficient analyze customizable molecule viewer drug target analyzer user-friendly interface open source
Open3DALIGN
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Open3DALIGN 2.28   
Price: FREE / Freeware
... and compare multiple molecules, making it perfect for virtual screening and lead optimization. Not only is it ...
molecular dynamics molecular alignment software review Open3DALIGN 3D structure open source molecule cheminformatics alignment dataset compound compund Paolo Tosco
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