Bifunctional Degrader Solutions
Accurately generate, score and optimize your protein degrader complexes with confidence
Start the rational design of protein degraders using Schrödinger’s comprehensive workflow
Protein degraders offer a novel mechanism for modulating protein function by leveraging the cell’s natural degradation pathways. The formation of the ternary complex between the protein of interest, the E3 ligase, and the degrader is essential for degradation of the target to occur, although it is not sufficient. Therefore, knowledge of the structure of the ternary complex is highly desirable for rational design of improved degraders. Schrödinger’s Bifunctional Degrader Solutions predict possible ternary complexes and accurately score them to narrow down the models to consider for linker design and degrader optimization.
Have confidence in your protein degrader design with structure-based in silico workflows
Accurately score ternary complexes with state-of-the-art scoring functions to focus resources on a select few models
Design superior protein degraders by adopting in silico optimization to improve binding affinity and degrader potency
Enable structure-based rational design via predictive modeling with computational workflows to benefit from a hypothesis-driven design strategy from the outset
Here’s your updated ternary complex structure prediction toolbox
Additional PROTAC Applications
Schrödinger’s FEP+ can be used for target and E3 ligase warhead optimization, for maintaining potency while optimizing properties or exploring linker attachment points and possible exit vectors. Our MD workflow (Desmond) also explores the possible exit vectors of a degrader and allows for accurate sampling.
Bringing it all together on LiveDesign
Streamline the discovery process and accelerate the design-predict-make-test-analyze cycle with LiveDesign:
• Real-time data sharing
• Project management
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Enable your bifunctional degrader R&D with structure-based rational design — contact us today to discuss how you can start using Schrödinger’s solutions.
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