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Symposium:
Computational Drug Design - A Tribute to Frank Blaney
October 4th, 2024 at GSK's Medicines Research Centre in Stevenage
This symposium is organized in honour of Frank Blaney. Frank was an early adopter of computational chemistry, championing its use in industry and was a founding member of the MGMS. Known for his innovative work in molecular modelling and drug discovery, Frank’s many associations included Oxford University, Queen’s University Belfast, GSK, Sosei Heptares and the MGMS.
This meeting brings together leading scientists to discuss their pioneering work in utilizing computational methods to address a wide array of challenges in the biological sciences. The event serves as a platform to celebrate Frank’s legacy and inspire further advancements in the field.
The meeting will address research areas:
• Quantum Calculations in Biology
• Computational Methods in Drug Discovery
• Multi-Scale Simulations
• AI in Drug Discovery
Invited Speakers:
1. Tim Clark, University of Erlangen
2. Nicola Richmond, Benevolent AI
3. Paul Finn, Oxford Drug Design
4. Ben Tehan, OMass Therapeutics
5. Adrian Mulholland, University of Bristol
6. Steve Gardner, PrecisionLife
7. Alissa Hummer, University of Oxford
8. Nigel Richards, University of Cardiff
9. Irina Tikhonova, Queen’s University Belfast
Program Schedule:
Symposium Date: October 4th
Time: 9:30 AM - 5:00 PM
9:30 - 10:00 Registration and Welcome
10:00 - 10:15 Opening Speech by Mike Hann
10:15 - 10:45 Adrian Mulholland: Multiscale simulation for enzyme evolution, design and drug resistance
10:45 - 11:15 Nigel Richards: Quantum Chemical Insights into Arginine Phosphorylation
11:15 - 11:45 Tea/Coffee Break
11:45 - 12:15 Tim Clark: Ligand Binding and Activation of Class A GPCRs
12:15 - 12:45 Irina Tikhonova: Unveiling the Dynamic Structural Mechanisms of FFA2 Allostery and Signalling Bias
12:45 - 14:00 Lunch Break
14:00 - 14:30 Ben Tehan: Molecular Dynamics in a Mass Spectrometry Company
14:30 - 15:00 Paul Finn: Development of empirical approaches to quantify molecular similarity
15:00 - 15:30 Tea/Coffee Break
15:30 - 16:00 Alisa Hummer: Predicting Antibody-Antigen Binding Affinity with AI
16:00 - 16:30 Steve Gardner: AI enabled precision medicine approaches for uncovering novel opportunities for GPCR targets in complex disease biology
16:30 - 17:00 Nicola Richmond: How would Frank spend his software budget today?
The symposium will feature space for poster presentations and commercial exhibits throughout the day. We encourage researchers to present posters and industry partners to showcase innovations during breaks and lunch. Displays should be set up at the start of the day. For submission details, please contact i.tikhonova@qub.ac.uk.
To foster a collaborative and engaging scientific exchange, we have capped the number of participants at around 150. We encourage you to secure your spot promptly for this groundbreaking event, which will delve into the exciting applications of computational methods at the intersection of chemistry and biology!
Registration fee: £80 for non-MGMS members, £55 for MGMS members, £50 for students and £40 for student MGMS members
Location: GSK's Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, United Kingdom, SG1 2FX
Scientific Committee:
Steve Maginn, Chemical Computing Group
Mike Hann, GSK
Ian Wall, GSK
Irina Tikhonova, Queen’s University Belfast