Time | Title | Speaker |
Day 1 | ||
09:45-10:00 BST | Welcome | AI4Proteins Organisation Team |
10:00-11:00 BST | Session 1: Session Chair: Professor Jeremy Frey (University of Southampton) | |
– 10:00-11:00 BST | An AI solution to the protein folding problem: what is it, how did it happen, and some implications | Professor John Moult (University of Maryland) |
11:00-11:30 BST | Coffee Break | |
11:30-12:30 BST | Session 2: Session Chair: Dr Melanie Vollmar (Diamond) | |
– 11:30-11:50 BST | So you predicted a protein structure – What now? | Dr Thomas Steinbrecher (Schrödinger) |
– 11:50-12:10 BST | Deep Learning enhanced prediction of protein structure and dynamics | Dr Martina Audagnotto (AstraZeneca) |
– 12:10-12:30 BST | Fireflies-LĂ©vy Flights algorithm for peptides conformational optimization | Dr Zied Hosni (University of Sheffield) |
12:30-13:30 BST | Lunch | |
13:30-14:30 BST | Session 3: Session Chair: Dr Chris Swain (Cambridge MedChem Consulting) | |
– 13:30-14:00 BST | How good are protein structure prediction methods at predicting folding pathways? | Mr Carlos Outeiral Rubiera (University of Oxford) |
– 14:00-14:30 BST | Protein-Ligand Structure Prediction for GPCR Drug Design | Dr Chris De Graaf (Sosei Heptares) |
14:30-15:00 BST | Break | |
15:00-16:00 BST | Session 4: Session Chair: Dr Márton Vass | |
– 15:00-15:30 BST | Using icospherical input data in machine learning on the protein-binding problem | Dr Ella Gale (University of Bristol) |
– 15:30- 16:00 BST | Biological sequence design with machine learning | Professor Debora Marks (Harvard University) |
16:00-16:15 BST | Break | |
16:15-17:30 BST | Social Event – Register here | |
Day 2 | ||
10:20-10:30 BST | Welcome Back | AI4Proteins Team |
10:30-12:20 BST | Session 5: Session Chair: Dr Simone Fulle (Novo Nordisk) | |
– 10:30-11:00 BST | Lessons learned from generative models of biological sequences | Professor Aleksej Zelezniak (Chalmers University of Technology) |
11:00-11:30 BST | Coffee Break | |
– 11:30-12:00 BST | DeepDock: a deep learning approach to predict ligand binding conformations | Dr Oscar MĂ©ndez-Lucio (Janssen Pharmaceuticals) |
– 12:00-12:20 BST | Finding new in silico-based therapeutic strategies for IAHSP | Dr Matteo Rossi Sebastiano (University of Turin) |
– 12:20-13:00 BST | Lunch | |
13:00-14:00 BST | Session 6: Session Chair: Professor Jonathan Goodman (University of Cambridge) | |
– 13:00-13:30 BST | Designing molecular models by machine learning and experimental data | Professor Cecilia Clementi (Freie Universität Berlin) |
– 13:30-14:00 BST | The “almost druggable” genome | Professor Tudor Oprea (University of New Mexico) |
14:00-14:30 BST | Coffee Break | |
14:30-15:30 BST | Session 7: Session Chair: Dr Lucy Colwell (University of Cambridge) | |
– 14:30-15:00 BST | General Effects of AI on Drug Discovery | Dr Derek Lowe (Novartis) |
– 15:00-15:30 BST | Open Access Data: A Cornerstone for Artificial Intelligence Approaches to Protein Structure Prediction | Professor Stephen Burley (RCSB PDB, Rutgers University, UCSD) |
15:30-16:30 BST | Panel 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 BST | Final Remarks |