Congratulations to Marie Bluntzer who successfully defended her PhD thesis yesterday. Thanks to Drew Thompson and Adam Kirrander for acting as external/internal examiners. Marie did incredible work on modelling of stapled peptides and has already started a job in the AI industry at Instadeep
in London.
We are very proud that Jenke Scheen presented his PhD work today to members of the Parliament in the House of Commons as a finalist of the prestigious annual STEM for Britain 2022 competition.
Jenke's research is sponsored by the company Cresset, and focuses on the intersection of machine learning and free energy perturbation methodologies for computer-aided drug design. Read more about Jenke's achievements here.
Congratulations to final year PhD student Jenke Scheen for winning a prize at the Young Modellers Forum 2021/2022 edition earlier this month for his presentation ''A data-driven approach to relative Free Energy Perturbation reliability predictions for alchemical free energy calculations in drug design''
There is a vacancy for a PhD studentship in the group to work on free energy perturbation simulation methodologies for protein-ligand interactions. More details available here.
After a long spell the group was able to meet in-person for a dinner to celebrate Sofia's PhD viva, and to welcome new group members Anna, Eva and Finlay. Group photo featuring guest visitor Matteo Degiacomi and alumnus Antonia Mey.
Well done to Sofia Bariami for defending her PhD thesis with minor corrections on Nov 2nd ! Sofia has recently moved on to Cresset for an industrial postdoc position.
Welcome to Finlay Clark, Anna Herz and Evangelia Notari who joined the group to pursue PhD projects. Finlay and Anna are working on binding free energy calculation methods, whereas Eva is working on peptide design methods.
Well done to 1st year PhD student Adele Hardie for winning a poster prize at the 2021 CCP5 Summer School. Adele is working on allosteric fragment-based drug design methodologies.
Well done to Sofia Bariami who recently published her first (joint first) publication from her PhD studies together with Daniel Cole's team at Newcastle University. Read Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations at the Journal of Chemical Information and Modeling.
Congratulations to Jenke who was awarded a poster prize at the virtual Young Modeller's Forum meeting on February 12th for his poster ''Data-driven estimation of optimally-designed perturbation networks in relative alchemical free energy calculations''. Jenke's work is sponsored by Cresset.