3 October - 4 October 2023
What Drug Hunters need to know about Computational Chemistry
Organised by:
SCI’s Young Chemists’ Panel
SCI, London, UK
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Synopsis
The ability to exploit information through computational chemistry is vital for any modern drug hunter wishing to develop a therapeutic more efficiently and effectively. This new meeting will focus on conceptual understanding of key topics, from basic theory to applied case studies. Topics range from cheminformatics and model building to computational-driven drug design and structural understanding.
Experienced speakers from academia and leading pharmaceutical companies will deliver informative lectures with emphasis on Q&A and other interactive elements to maximise learning opportunities.
Attendees
This event is intended for any drug hunters in academia or industry who would like to expand their understanding of computational techniques. It will also be of interest for those who would like to know more about how computational chemistry is applied in drug discovery.
Programme
Tuesday 3 October
- 09:15
- Registration and Refreshments
- 10:00
- A New Wave of Computational Medicinal Chemistry
Lewis Vidler, Eli Lilly - 10:35
- Cheminformatics in Drug Design
Edith Chan, University College London - 11:15
- Medicinal Chemistry is a Game of Matched Pairs
Al Dossetter, Medchemica - 11:45
- Artificial Intelligence in Drug Discovery – Aspects of Data and Impact on Model Performance and Model Applicability
Andreas Bender, University of Cambridge, Pangea Botanica - 12:25
- Lunch and Exhibition
- 13:10
- The Importance of Ligand Conformation in Drug Discovery
Steven Johnston, C4X Discovery - 13:50
- Ligand Based Design in the AlphaFold age
David Clark, Charles River Laboratories - 14:30
- Refreshment Break and Exhibition
- 14:55
- Crystallography? What has Crystallography ever done for us?
Jason Cole, Cambridge Crystallographic Data Centre - 15:35
- AlphaFold for GPCR Drug Discovery
Caroline Low, Isomorphic labs - 16:15
- Round table discussion with Day 1 speakers
- 16:45
- Networking Reception
Wednesday 4 October
- 09:30
- Structure Based Design - It's more than just docking!
Louise Birch, Sygnature - 10:10
- Molecular Dynamics in Drug Design
Antonella Ciancietta, University of Ferrara - 10:50
- Refreshment Break and Exhibition
- 11:15
- When Forcefields Fail: Quantum Mechanics in Drug Design
Graeme Robb, AstraZeneca - 11:45
- Demystifying alchemical free energy calculations
Antonia Mey, University of Edinburgh – FEP - 12:15
- Lunch and Exhibition
- 13:00
- Title to be confirmed
Richard Sherhod, BenevolentAI - 13:40
- Applying Computational Chemistry to Antibody Design
Mabel Wong, UCB - 14:20
- Refreshment Break and Exhibition
- 14:45
- Getting the Most from your Computational Chemist
Stephen St Gallay, MSD - 15:15
- Round table discussion with Day 2 speakers
- 15:45
- Close of event
SCI’s Young Chemists’ Panel are committed to promoting diversity and equality in the chemical sciences. We aim to identify high quality speakers for all our conferences with inclusivity of gender and ethnicity. Attendees from all backgrounds and ages are welcome.
Venue and Contact
SCI
14/15 Belgrave Square
London
SW1X 8PS
Conference Team
Tel: +44 (0)20 7598 1561
Email: conferences@soci.org
Fees
| Early bird - ends 4 September 2023 SCI Member - £125 Non-member - £200 Student Member - £65 |
| After early bird SCI Member - £205 Non-member - £280 Student Member - £75 |
All registrations will automatically receive a confirmation within 24 hours of registering for the event. Should you not receive written confirmation of your booking, please email conferences@soci.org.
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Booking Process/Deadlines
CPD Info
SCI Members attending this meeting are able to claim CPD points.
Exhibitors
Sponsors
Organising Committee
- Silvia Bonomo, AstraZeneca
- Sam Dalton, MSD
- Timothy Gorman, Evotec
- Lily Hunnisett, CCDC
- Adam Smalley, UCB
- Siying Zhong, Vernalis
