Molecular Docking and DINC
My project for the summer is to work on the molecular docking tool DINC to add new functionalities.
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DINC: Docking INCrementallyDINC is a tool developed by the Kavraki Lab to dock large compounds to receptors. It uses a docking tool called Autodock to perform this docking. Autodock can only handle small ligands, but DINC uses the tool to dock large ligands by docking the ligand incrementally.
DINC: dinc.kavrakilab.org/ |
My Project
I am working with another undergraduate student, Angela, on improving DINC. My part of the project is working on improving DINC's accuracy in docking large ligands, which is useful in cancer immunotherapy.
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