FEP+ State of the Union: Advancing computational rigor and scaling predictivity in drug discovery

The demands on modern drug discovery – faster timelines, reduced costs, and increasingly challenging targets – require computational models to operate with unprecedented speed and confidence. The core challenge is scaling the predictive power of FEP+, Schrödinger’s free energy perturbation technology, while maintaining its scientific rigor and accuracy. This session will deliver a scientific and technical “state of the union” on FEP+, highlighting the latest and upcoming advancements that have transformed FEP+ into a reliably scalable computational assay that is accessible to entire project teams.

In this webinar, Robert Abel, Schrödinger’s chief scientific officer, and Schrödinger’s FEP+ experts will provide an in-depth analysis of FEP+’s latest accuracy benchmarks and its expanding domain of applicability, maintaining its position as the gold standard in the industry. The core of this session will be the unveiling of key usability innovations engineered to streamline model generation, FEP+ Protocol Builder and FEP+ Pose Builder. These tools are designed to abstract complexity, dramatically reducing the effort required to set up and run robust FEP calculations, thereby accelerating the entire model validation and deployment lifecycle.

Join us to gain insight into the scientific advancements and new tools that are making FEP+ faster, more accurate, more intuitive, and more effective. Discover how FEP+ is crucial for advancing your computational strategies and a key game changer in modern drug discovery.

Webinar Highlights:

• FEP+ Accuracy and Robustness: Presentation of the latest scientific data verifying the high accuracy and reproducibility of FEP+ predictions, including new benchmarks against experimental values

• Expanding Domain of Applicability: A clear discussion on the current scientific domain where FEP+ is proven to be most reliable, ensuring chemists can apply the technology with confidence

• FEP+ Protocol Builder: Learn how this new tool simplifies and accelerates the setup of FEP calculations by guiding users through a streamlined, step-by-step process

• FEP+ Pose Builder: See a demonstration of the FEP+ Pose Builder, a tool designed to make initial model generation easier, faster, and more effective by simplifying complex pose selection and refinement

• FEP+ Integration with LiveDesign: Learn how integration of advanced predictive modeling directly into an enterprise informatics platform enables more efficient, data-driven decisions and collaboration