Please join us for the UK-QSAR Spring 2022 Meeting, happening April 26, 2022 at Downing College, Cambridge, UK.
UK-QSAR Spring 2022 Meeting will be held in person this year and will be themed around Free Energy Calculations in Drug Discovery.
Please note that attendance for this event is limited. If you register after we have reached capacity, you will automatically be added to a waitlist and notified if a spot becomes available.
This year's meeting is organized by OpenEye Scientific. We look forward to seeing you there.
AGENDA
Tuesday, April 26th
9:00: Open registration, coffee/tea9:45: Welcome and Opening Remarks, Geoff Skillman, CSO, OpenEye ScientificSession 1 — Chair: Christopher Bayly, OpenEye Scientific
10:00: Jonathan Essex, University of Southampton - Is the sampling of water in protein-ligand systems a solved problem?10:30: David Hahn, Janssen - Large Scale Free Energy Calculations in Drug Discovery11:00 – 11:30: BreakSession 2 — Chair: Gunther Stahl, OpenEye Scientific
11:30: Francois Berenger, University of Tokyo - Lean-Docking: Exploiting Ligands’ Predicted Docking Scores to Accelerate Molecular Docking12:00: Christopher Bayly, OpenEye Scientific - Binding Free Energies in Orion: a Parallel Universe12:30 – 14:00: LunchSession 3 — Chair: TBA
14:00: Bert de Groot, MPI Goettingen - High throughput relative and absolute non-equilibrium binding free energies with pmx14:30: Hannah Bruce Macdonald, Merck - Application of free energy methods for lead optimisation15:00 – 15:30: BreakSession 4 — Chair: Christopher Bayly, OpenEye Scientific
15:30: Peter Coveney, UCL - Assembling an arsenal to achieve reliable free energy calculations16:00: Martin Packer, AstraZeneca - Impact of FEP in prospective molecular design - moving from single edges to large virtual libraries16:30: Geoff Skillman, OpenEye Scientific - Concluding remarks, poster winner announcement and close.