Bioinformatics Unit Winter-Spring Webinars | 1 - D. Zaidman - Weizmann Institute of Science: Computational protocols for the design of next generation chemical tools
The Department of Clinical and Experimental Medicine (Bioinformatics Unit) runs a series of Webinar involving renowned scientists and researchers focusing on algorithms, models, biomedical and biotechnological techniques and clinical studies and applications. The webinars are coordinated by Prof. Alfredo Pulvirenti and will be freely accessed through the MS Teams Platform starting February 2021. The first Webinar is scheduled for: February 2, 2021, 3 pm
Title: 'Computational protocols for the design of next generation chemical tools'.
Speaker: Daniel Zaidman, Weizmann Institute of Science, Israel
MS Teams Link: Click here to join the meeting
Abstract: Covalent irreversible inhibitors, and protein degraders (PROTACs) are two emerging fields that are growing rapidly over the past decade. Such molecular modulators have several advantages compared to traditional drugs. Irreversible inhibitors have a longer residence time, time dependent inhibition, and improved potency. PROTACs are also effective at lower concentrations, due to their catalytic effect, and their recyclable nature. Yet, both fields suffer from lack of computational tools for the rational design of compounds. We developed computational protocols for these two domains that are built on simple geometrically oriented schemes which leverage the specific nature of the problems at hand. These tools, combined with our efforts to make them publicly available, should enable broad access to new and improved chemical probes.