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BiKi Netics

Binding Kinetics determination in Drug Discovery
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It is nowadays emerging the importance of binding kinetics, and especially residence time, to prioritize drug candidates, as its optimization can improve the therapeutic drug efficacy. There are a few experimental approaches to measure the drug binding kinetics, while robust computational predictions are still missing. BiKi Netics is a new tool within BiKi Life Sciences based on molecular dynamics simulations that supports lead prioritization based on koff.

L. Mollica et al, Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations. Scientific Reports.