Computational Advances in Drug Discovery (G1)
May 7-10, 2026  | Park Plaza Riverbank London, London, United Kingdom
Karen Akinsanya, Alexander Hillisch, Najat Khan and Gang Liu
Scholarship Deadline: Jan. 9, 2026 | Abstract Deadline: Apr. 16, 2026 | Early Registration Deadline: Mar. 11, 2026
* Session Chair † Invited but not yet accepted | Program current as of August 23, 2025 4 AM | For the most up-to-date details, visit https://www.keystonesymposia.org
Thursday, May 7, 2026
4:00–8:00 PM Registration
Friday, May 8, 2026
7:30–8:30 AM Breakfast
8:00–8:30 AM Poster Setup
8:15–5:00 PM Poster Viewing
8:30–9:30 AM Welcome and Keynote Address
  Simon Richards, Isomorphic Labs
Development and Application of an AI-First Drug Design Platform at Isomorphic Labs
 
9:30–11:45 AM Computation Methods in Structure-Based Small Molecule Design
  Christina Schindler, Merck KGaA
Computational Drug Design across Different Modalities
 
  Vineet Pande, Johnson & Johnson Innovative Medicine
Computational Advances in Discovering Cryptic Pockets for Drug Discovery
 
  Heidi Koldsoe, Scorpion Therapeutics
Drugging the Undruggable: Leveraging Computational Techniques to Drive Compound Design
 
  Short Talk(s) Chosen from Abstracts
 
10:00–10:20 AM Coffee Break
11:45–12:45 PM Lunch
12:30–2:30 PM Poster Session 1
2:30–4:30 PM Symposia Spotlight 1: Late-breaking research presentations selected from abstract submissions
  Short Talk(s) Chosen from Abstracts
 
4:30–5:00 PM Coffee Available
5:00–7:00 PM Computational Methods in Protein Therapeutic Design
  Christian Stegmann, Absci
Harnessing Generative AI to Creation and Development of ABS-201: A Novel Anti-PRLR Antibody for Androgenic Alopecia
 
  Bingxu Liu, University of Washington
Peptide-MHCI (pMHCI) Binder Design
 
  Sebastian Kelm, UCB Pharma
in silico Antibody Design
 
  Short Talk(s) Chosen from Abstracts
 
7:00–8:00 PM On Own for Dinner
Saturday, May 9, 2026
7:30–8:30 AM Breakfast
8:30–11:30 AM AI-based Acceleration of Multi-Omics Advances in Cell Biology
  Daniel J. Anderson, Eikon Therapeutics
Single Molecule Tracking in Drug Discovery and Systems Biology
 
  Richard Bonneau, Genentech
Avoiding Funnels: Using Active Learning and Generative AI to Drive Drug Discovery
 
  Ben Lehner, Wellcome Sanger Institute
Complete Allosteric Maps for Drug Discovery
 
  Short Talk(s) Chosen from Abstracts
 
9:30–9:50 AM Coffee Break
11:00–1:00 PM Poster Setup
11:30–12:30 PM Lunch
12:30–2:30 PM Poster Session 2
1:00–10:00 PM Poster Viewing
2:30–4:30 PM Symposia Spotlight 2: Late-breaking research presentations selected from abstract submissions
  Short Talk(s) Chosen from Abstracts
 
3:30–4:30 PM Career Roundtable
4:30–5:00 PM Coffee Available
5:00–7:00 PM Advances in Predictive Toxicology Methods
  Blanca Rodriguez, University of Oxford
Digital Twins and In Silico Clinical Trials for Drug Discovery
 
  Friedemann Schmidt, Sanofi
Decoding Toxicology: Computational Frameworks for Next-Generation Predictive Safety
 
  Henrik Renner, Evotec SE
Human iPSC High-throughput Screening for Teratogenicity Hazard Identification
 
  Short Talk(s) Chosen from Abstracts
 
7:00–8:00 PM On Own for Dinner
Sunday, May 10, 2026
7:30–8:30 AM Breakfast
8:30–11:30 AM Machine Learning Applications in Translational Science
  Tali Raveh-Sadka, Immunai
Identification of High Confidence Candidate Markers for Macrophage Infiltrating Tumor Microenvironment Through Single Cell Genomic Atlases
 
  Bissan Al-Lazikani, University of Texas MD Anderson Cancer Center
The Kinase Polypharmacology Landscape of Clinical PARP Inhibitors
 
  Gayle Wittenberg, Janssen R&D, LLC
A Multimodal Digital Biomarker of Functional Deficits in Early‐Stage Alzheimer’s Disease
 
  Short Talk(s) Chosen from Abstracts
 
9:30–9:50 AM Coffee Break
11:30–12:30 PM Lunch
2:30–4:30 PM Panel: Opportunities and Challenges in Computational Drug Discovery and Development?
  * Karen Akinsanya, Schrödinger
 
  Najat Khan, Recursion Pharmaceuticals
 
  Alexander Hillisch, UCB BioSciences GmbH
 
  Richard Bonneau, Genentech
 
4:30–5:00 PM Coffee Available
5:00–6:45 PM AI Application in Global Health Drug Discovery
  Jonathan E Gable, Novartis Biomedical Research
Diverse Application of AI in Drug Discovery at Novartis
 
  Jinjiang Guo, Global Health Drug Discovery Institute
Generative AI-Enabled Multi-Parameter Lead Optimization in Early Drug Discovery
 
  Short Talks Chosen from Abstracts
 
6:45–7:00 PM Meeting Wrap-Up: Outcomes and Future Directions (Organizers)
7:00–8:00 PM On Own for Dinner
Monday, May 11, 2026
12:00–11:59 PM Departure