New video from the Chemistry in Focus team Chemistry in Focus (Sofia Bariami, Iain Prentice, Kyle Acheson, Angie Mat’usová, and Dr. Antonia Mey) are excited to share their second video showcasing more of the exciting work being done by PhD students in the School of Chemistry. The video features Sofia Bariami’s work on developing force-fields for use in computational drug design in collaboration with the Cole Group at Newcastle, which was recently published in the Journal of Chemical Information and Modeling. The paper presents the quantum mechanical bespoke (QuBe) force-field approach, which facilitates the automated derivation of force-field parameters for modelling protein-ligand binding I'm very happy to see my research presented so clearly in this video, and I would like to thank the whole team for their hard work. Since I'm now about to finish my PhD, I consider this video to be a farewell gift, which beautifully summarises part of my work at the University of Edinburgh. Sofia Bariami Publication date 18 Mar, 2024
