Dataset Open Access

Virtual Screening with Molecular Forecaster

Mann, Mandeep; Schapira, Matthieu; Pottel, Josh

Commercially available compounds for USP5 zinc-finger ubiquitin binding domain (ZnF-UBD) were identified with Molecular Forecasters (MFI) FITTED docking platform. Preliminary assessment of docking for USP5 ZnF-UBD with FITTED can be found here.

Funding Acknowledgment: The SGC is a registered charity (number 1097737) that receives funds from AbbVie, Bayer Pharma AG, Boehringer Ingelheim, Canada Foundation for Innovation, Eshelman Institute for Innovation, Genome Canada through Ontario Genomics Institute [OGI-055], Innovative Medicines Initiative (EU/EFPIA) [ULTRA-DD grant no. 115766], Janssen, Merck KGaA, Darmstadt, Germany, MSD, Novartis Pharma AG, Ontario Ministry of Research, Innovation and Science (MRIS), Pfizer, São Paulo Research Foundation-FAPESP, Takeda, and Wellcome.
Files (1.3 GB)
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1_virtual screening MFI.pdf
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MFI Virtual Screen.zip
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MFI_top_scoring_ligands.sdf
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MFIlibraryselection.xlsx
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