Small molecule targeting of DM1 expanded RNA repeats: Lessons from the front lines of RNA drug discovery - Mark Ledeboer, Expansion Therapeutics & Soumya Ray, Passkey Therapeutics
Accelerating small molecule drug discovery with FEP+ - Dora Toledo Warshaviak, Amgen
Accelerating DMTA using LiveDesign at AstraZeneca - Symon Gathiaka, AstraZeneca
- Exploiting solvent exposed salt-bridge interactions for the discovery of potent inhibitors of SOS1 - Abba Leffler & Adam Levinson, Schrödinger
Structure-based approach to identify off-target compound binding modes: A case study with hERG to augment global DE models for comprehensive in silico strategy - Usha Viswanathan, J&J Innovative Medicine
Leveraging IFD-MD and FEP+ on predicted structures for rational design of PfPKG inhibitors as malaria prophylactics - Jacques Roberge, Rutgers University
Predicting secondary pharmacology with in silico structure-based approaches - Ed Miller, Schrödinger
Leveraging FEP+ for optimization of macrocyclic peptides - Donya Ohadi, J&J Innovative Medicine
Title to be confirmed - William Drury, Deep Genomics
Expanding the Schrödinger platform for digital biologics discovery and collaboration - Cindy Gerson & Zach Kaplan, Schrödinger
- Structure-in-the-loop: AI augmented GPCR drug discovery - Chris de Graaf, Structure Therapeutics
- Exploring 3D QSAR models combined with FEP+ - Alan Graves, Nimbus Therapeutics
- Panel Discussion
- Scientific developments & Schrödinger platform roadmap - Robert Abel, Schrödinger
Preliminary Agenda
Monday, September 15th
6:00 PM Welcome Networking Reception
Tuesday, September 16th
9:00 AM Welcome Address
9:15-12:00 PM Scientific Talks: Impacting drug discovery programs through tight integration of computational and medicinal chemistry
12:00 PM Lunch
1:00-2:30 PM Workshop: Hands-on digital drug design
2:45 - 5:00 PM Scientific Talks: Enabling challenging on- and off-targets for structure-based design; Predictive toxicology
6:00 PM Dinner and evening social event at the Newport Harbor Island Resort
Wednesday, September 17th
9:00 AM Scientific Talks: Modeling of new and alternative modalities
12:00 PM Lunch
1:00 PM Scientific Talks: Practical application of AI/ML; Measuring and tracking ROI of modeling
4:30 PM Meeting Close