Innovation in Discovery Science – Virtual UGM 2024
Thursday, 9th May from 9.30 a.m. to 3.30 p.m. (BST)
The Discovery Science User Group Meeting will bring together like-minded scientists to drive the structural science agenda in the life science industry.
CCDC discovery science software users and non-users will collectively discuss the latest trends and advancements in the industry, including the rise of AI and machine learning. Use cases will be presented and common challenges discussed.
Attendees will gain insights into and contribute to the CCDC’s discovery science product roadmap, actively shaping the future of the software to meet the needs of the life science community.
Agenda
9:30 – Application of protein-ligand interaction statistics in Structure-Based Drug Design, Andreas Tosstorff from Roche
09:50 – Accelerated, Accurate Drug Discovery using Enhanced Torsion Distributions
Coffee break
10:30 – Overview of latest development on CSD-Discovery, CSD-Core and GOLD ULD
10:55 Computer-aided Drug Design: CSD-CrossMiner and SuperStar
Coffee break
11:30 – Connecting GOLD to Generative Therapeutics Design
Lunch Break
13:00 – Seedling: a scoring and generation framework for protein-ligand co-folding, Alex Bainbridge and Finlay MacLean, Charm Therapeutics
13:30 – Round table discussion – AI/ML applications in early drug design and data needed. How can CCDC help?
14:00 – PROTAC computational modelling driven by CSD data
Coffee Break
14:45 – Covalent Docking with GOLD: Brief history of covalent inhibitors, GOLD, and Ibrutinib test case
15:05 – Future Web platform
Wrap up