Josh’s preprint is now available on ChemRxiv: “QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics”. See our webpage on QUantum mechanical BEspoke force field design for more details.

Welcome to Chris Ringrose who joins us from the University of Leicester to start a Ph.D. on molecular mechanics force fields for computer-aided drug design.

The schedule of Chemistry research seminars for the coming semester is now complete and available here. All are very welcome to attend. Get in touch if you’d like to meet with any of our speakers.

Welcome to Dr Vadiraj Kurdekar who joins us from the Centre for Chemical Biology & Therapeutics, InSTEM, to work on quantum mechanics based force fields for computer-aided drug design.

I will be attending the 2018 Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design in Boston next week, and heading back to the Jorgensen lab at Yale University after 3 years away to give a talk.

Meanwhile Lauren will be presenting her poster on Quantum Mechanics-Based Force Fields for Computer-Aided Drug Design at the SNES postgraduate conference.