A web platform to automate large-scale protein-ligand docking using our popular docking engine idock. istar supports 1) filtering ligands by desired molecular properties and previewing the number of ligands to dock, 2) monitoring job progress in real time, and 3) visualizing ligand conformations and outputting free energy and ligand efficiency predicted by idock, binding affinity predicted by RF-Score, putative hydrogen bonds, and supplier information for easy purchase, three useful features commonly lacked on other online docking platforms like DOCK Blaster or iScreen.
Enables scientists to create a virtual project plan to deliver a clinical candidate. Drug Hunter is an interactive web-based application that teaches users how their decisions influence the efficiency and success of their projects. It uses a drug discovery simulation exercise and teams adjust their lead optimization plans as they get real-time warnings. At the end of the simulation, it provides an evaluation of each plan using metrics like cost, time, and probability of success.
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