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Systems-Biology Infrastructure to Identify Drug Repurposing Opportunities as Antiviral & Anticancer Therapeutics

Vanderbilt researchers have developed an in-silico screening method to reveal new indications for existing drugs with known protein targets using a novel infrastructure. The infrastructure integrates multiple factors across system-biology models to create a drug discovery pipeline.

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Clarissa Muere


TagDock: An Efficient Rigid Body Molecular Docking Algorithm For Three Dimensional Models of Oligomeric Biomolecular Complexes With Limited Experimental Restraint Data

TagDock is an efficient rigid body molecular docking algorithm that generates three-dimensional models of oligomeric biomolecular complexes in instances where there is limited experimental restraint data to guide the docking calculations. Through "distance difference analysis" TagDock additionally recommends followup experiments to further discriminate divergent (score-degenerate) clusters of TagDock's initial solution models

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Masood Machingal