UK-QSAR Autumn 2021 Meeting

The virtual meeting, hosted by Charles River Laboratories, was held on Thursday 14th October 2021.

The meeting agenda (please find links to some of the presentations) :

11:50Welcome, Nicole Hamblin, Senior Director CRL
11:55Welcome from Meeting Organiser, David Clark, CRL
Session 1 Chair: David Clark, CRL
12:00-12:30Hydrogen Bond Donors in Drug Design, Peter Kenny (slides)
12:30-13:00Molecular Dynamics Simulations of Penicillin-Binding Protein 2a (PBP2a) with Ceftaroline at the Allosteric Site, Ying-Chih Chiang, Kobilka Institute of Innovative Drug Discovery, School of Life and Health Sciences, The Chinese University of Hong Kong, Shenzhen (slides)
Lunch & Posters
Session 2 Chair: Pascal Savy, CRL
14:00-14:30Allosteric Covalent Inhibitors of the Mutant GTPase KRAS, Michael Bodnarchuk, AZ
14:30-15:00Can you teach old drugs new tricks to prevent dementia?, Danielle Newby, Department of Psychiatry, Warneford Hospital, University of Oxford (slides)
Tea break
Session 3 Chair: Emanuela Gancia, CRL
15:30-16:00Energetics of protein disorder-order transitions in small molecule binding, Julien Michel, University of Edinburgh (slides)
16:00-16:30Bag of Features: A Multi-Instance Perspective on QSAR, Emmanuel Noutahi, Valence Discovery (slides)
16:30Closing remarks, announcement of poster winner