Webinar Archives

Jun 15
2020

Computational Workflows for Bifunctional Degrader Design

Dr. Agustina Rodriguez-Granillo

Principal Scientist II
Summary

This presentation highlights ongoing efforts at Schrödinger to develop computational workflows to address different design challenges of bifunctional degraders. Workflows include the conformational sampling of the isolated bifunctional degrader, the determination of the degrader exit vector, the prediction of the target-degrader-ligase ternary complexes, and linker enumeration strategies. Finally, preliminary method validation using available public crystal structures and highlights of their limitations.

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