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Forli Lab's Projects

bottchscore icon bottchscore

Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)

meeko icon meeko

Interfacing RDKit and AutoDock

ringtail icon ringtail

Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina

scrubber icon scrubber

Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock

waterkit icon waterkit

Tool to predict water molecules placement and energy in ligand binding sites

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