Synopsis
Conformational Design plays a key role in the medicinal chemistry of small molecule drug candidates. The emergence of generative AI models to assist molecular design and free-energy-perturbation techniques critically depend on accurate prediction of 3D ligand conformations. Here we bring together cutting-edge computational methods with experimental free ligand NMR solution conformations and protein-ligand X-ray and CryoEM structures to craft the medicines of tomorrow. We will discuss ligand rigidification and physicochemical optimisation strategies for protein-protein interaction inhibitors, PROTACs, molecular glues, antibody-drug-conjugate payloads and other new modalities. This RSC-BMCS event aims at building a community that shares conformational design strategies, technologies, and successful case studies. It will complement other rational drug design events and promote more successful research into future medicines.
Who should attend?
This symposium will provide great learnings for medicinal chemists, computational chemists, structural biologists, biophysicists and NMR analytical chemists with an academic or industry interest in drug discovery. Prior knowledge in conformational design will not be required.
Registration Fees:
RSC Member – £115.00
Non-Member – £165.00
RSC Student Member – £40.00
Student Non-Member – £60.00
Exhibitor and sponsorship opportunities
Exhibition Package includes (£900):
– Two stand personnel with access to the scientific talks
– A table and 2 chairs
– Your logo and A4 promotional page in the pdf of the delegate handbook
– Your logo in the rolling slides, shown during the breaks
Organising Committee
Markus Schade, AstraZeneca (Chair)
Chris Swain, Cambridge MedChem Consulting (Treasurer)
Luca Carlino, AstraZenceca
Martin Swarbrick, Ryvu Therapeutics
Arasu Ganesan, University of East Anglia
Tim Barrett, GSK
Conformational Design plays a key role in the medicinal chemistry of small molecule drug candidates. The emergence of generative AI models to assist molecular design and free-energy-perturbation techniques critically depend on accurate prediction of 3D ligand conformations. Here we bring together cutting-edge computational methods with experimental free ligand NMR solution conformations and protein-ligand X-ray and CryoEM structures to craft the medicines of tomorrow. We will discuss ligand rigidification and physicochemical optimisation strategies for protein-protein interaction inhibitors, PROTACs, molecular glues, antibody-drug-conjugate payloads and other new modalities. This RSC-BMCS event aims at building a community that shares conformational design strategies, technologies, and successful case studies. It will complement other rational drug design events and promote more successful research into future medicines.
Who should attend?
This symposium will provide great learnings for medicinal chemists, computational chemists, structural biologists, biophysicists and NMR analytical chemists with an academic or industry interest in drug discovery. Prior knowledge in conformational design will not be required.
Registration Fees:
RSC Member – £115.00
Non-Member – £165.00
RSC Student Member – £40.00
Student Non-Member – £60.00
Exhibitor and sponsorship opportunities
Exhibition Package includes (£900):
– Two stand personnel with access to the scientific talks
– A table and 2 chairs
– Your logo and A4 promotional page in the pdf of the delegate handbook
– Your logo in the rolling slides, shown during the breaks
Organising Committee
Markus Schade, AstraZeneca (Chair)
Chris Swain, Cambridge MedChem Consulting (Treasurer)
Luca Carlino, AstraZenceca
Martin Swarbrick, Ryvu Therapeutics
Arasu Ganesan, University of East Anglia
Tim Barrett, GSK
