Day 1
09:45-10:00 BSTWelcomeAI4Proteins Organisation Team
10:00-11:00 BSTSession 1: Session Chair: Professor Jeremy Frey (University of Southampton)
– 10:00-11:00 BSTAn AI solution to the protein folding problem: what is it, how did it happen, and some implicationsProfessor John Moult (University of Maryland)
11:00-11:30 BSTCoffee Break
11:30-12:30 BSTSession 2: Session Chair: Dr Melanie Vollmar (Diamond)
– 11:30-11:50 BSTSo you predicted a protein structure – What now?Dr Thomas Steinbrecher (Schrödinger)
– 11:50-12:10 BSTDeep Learning enhanced prediction of protein structure and dynamicsDr Martina Audagnotto (AstraZeneca)
– 12:10-12:30 BSTFireflies-Lévy Flights algorithm for peptides conformational optimizationDr Zied Hosni (University of Sheffield)
12:30-13:30 BSTLunch
13:30-14:30 BSTSession 3: Session Chair: Dr Chris Swain (Cambridge MedChem Consulting)
– 13:30-14:00 BSTHow good are protein structure prediction methods at predicting folding pathways?Mr Carlos Outeiral Rubiera (University of Oxford)
– 14:00-14:30 BSTProtein-Ligand Structure Prediction for GPCR Drug DesignDr Chris De Graaf (Sosei Heptares)
14:30-15:00 BSTBreak
15:00-16:00 BSTSession 4: Session Chair: Dr Márton Vass
– 15:00-15:30 BSTUsing icospherical input data in machine learning on the protein-binding problemDr Ella Gale (University of Bristol)
– 15:30- 16:00 BSTBiological sequence design with machine learningProfessor Debora Marks (Harvard University)
16:00-16:15 BSTBreak
16:15-17:30 BSTSocial Event – Register here
Day 2
10:20-10:30 BSTWelcome BackAI4Proteins Team
10:30-12:20 BSTSession 5: Session Chair: Dr Simone Fulle (Novo Nordisk)
– 10:30-11:00 BSTLessons learned from generative models of biological sequences Professor Aleksej Zelezniak (Chalmers University of Technology)
11:00-11:30 BSTCoffee Break
– 11:30-12:00 BSTDeepDock: a deep learning approach to predict ligand binding conformationsDr Oscar Méndez-Lucio (Janssen Pharmaceuticals)
– 12:00-12:20 BSTFinding new in silico-based therapeutic strategies for IAHSPDr Matteo Rossi Sebastiano (University of Turin)
– 12:20-13:00 BSTLunch
13:00-14:00 BSTSession 6: Session Chair: Professor Jonathan Goodman (University of Cambridge)
– 13:00-13:30 BSTDesigning molecular models by machine learning and experimental dataProfessor Cecilia Clementi (Freie Universität Berlin)
– 13:30-14:00 BSTThe “almost druggable” genomeProfessor Tudor Oprea (University of New Mexico)
14:00-14:30 BSTCoffee Break
14:30-15:30 BSTSession 7: Session Chair: Dr Lucy Colwell (University of Cambridge)
– 14:30-15:00 BSTGeneral Effects of AI on Drug DiscoveryDr Derek Lowe (Novartis)
– 15:00-15:30 BSTOpen Access Data: A Cornerstone for Artificial Intelligence Approaches to Protein Structure PredictionProfessor Stephen Burley (RCSB PDB, Rutgers University, UCSD)
15:30-16:30 BSTPanel Session: Panel Chair: Dr Nathan Brown (Benevolent AI)Professor John Moult (University of Maryland)
Professor Debora Marks (Harvard University)
Professor Cecilia Clementi (Freie Universität Berlin)
Professor Aleksej Zelezniak (Chalmers University of Technology)
Dr Oscar Méndez-Lucio (Janssen Pharmaceuticals)
Professor Charlotte Deane (University of Oxford)
Professor Tudor Oprea (University of New Mexico)
Dr Derek Lowe (Novartis)
Professor Stephen Burley (RCSB PDB, Rutgers University, UCSD)
16:30-16:45 BSTFinal Remarks