YDS Pharmatech, Inc. scientists have made a revolutionary breakthrough in the field of PROTACs! By introducing a Generative Diffusion Model (GDM) for sampling ensembles of degrader-induced ternary interactions, the team has enabled a more effective approach to structure-based optimization of Proteolysis Targeting Chimeras.
With this innovative new model, scientists now have an efficient way to model ternary complexes and gain a deeper understanding of ligand-induced protein-protein interactions. This is a huge step forward in PROTACs research!
At the upcoming Drug Discovery Chemistry 2023 conference, YDS Pharmatech will showcase the remarkable potential of their GDM approach to dramatically improve PROTAC optimization and ternary interaction analysis. Attendees will have a chance to learn more about how this innovative technology can transform drug discovery processes. Don’t miss this opportunity to witness the power of GDM!
Structure-based optimization of PROTACs has long been an arduous endeavor, due to the complexity of accurately modeling ternary structures. Conventional computational approaches, such as RosettaDock, attempt to predict protein-protein complexes and then fit molecules into the interface; however, these techniques tend to lack the capacity to fully capture the dynamic nature of ternary interactions.
I’m incredibly proud of our research team here at YDS Pharmatech for their recent breakthrough in using generative diffusion models to sample conformation ensembles and model ternary complexes with unprecedented accuracy.
Our team’s success in using generative models to uncover the underlying mechanisms of PROTAC function has opened the door to a whole new realm of possibilities in terms of thermodynamics interactions. It’s truly amazing to witness the level of precision and insight these models can provide.
Kota Murasaki, Computational Chemist from Mitsubishi Tanabe Pharma Corporation, highly endorses YDS Pharmatech for its impressive expertise in simulation and AI technology. Our fruitful association with YDS has already yielded promising results in various ternary complex modeling projects, and we strongly believe that this partnership will continue to produce valuable insights and make a positive impact on our research.
About YDS Pharmatech, Inc.:
YDS Pharmatech is a pioneering drug discovery company that is using AI-accelerated enhanced sampling molecular dynamics simulations to develop computational platforms for multispecific drugs.
Their ground-breaking research is focused on PROTACs and molecular glue protein degraders, which could revolutionize the transition from serendipitous to rational design when it comes to induced proximity studies and the discovery of drugs.
By collaborating with researchers around the world, YDS Pharmatech is committed to finding innovative treatments for various diseases and making a real difference in the lives of patients.