antimicrobial resistance New paper: predicting rifampicin resistance via free energy simulation Philip Fowler, 23rd September 20253rd October 2025 This work was carried out by Xibei Zhang, who is doing her PhD with Peter… Continue Reading
New publication: Predicting antibiotic resistance in complex protein targets using alchemical free energy methods Philip Fowler, 26th August 202224th October 2022 In this paper, Alice Brankin calculates how different mutations in the DNA gyrase affect the… Continue Reading
antimicrobial resistance New preprint: Predicting antibiotic resistance in complex protein targets Philip Fowler, 4th January 20224th January 2022 In this preprint, which Alice has been working on for several years, we show how… Continue Reading
antimicrobial resistance New publication: how quickly can be calculate the effect of a mutation on an antibiotic? Philip Fowler, 20th November 202020th November 2020 The idea for this paper arose during talking over coffee at the BioExcel Alchemical Free… Continue Reading
antimicrobial resistance New preprint: rapid prediction of AMR by free energy methods Philip Fowler, 15th January 202015th January 2020 The story behind this preprint goes back to the workshop on free energy methods run… Continue Reading
computing GROMACS2018 on NVIDIA DGX-1s Philip Fowler, 27th September 201929th October 2019 HECBioSim advertised for proposals to use JADE, the new Tier-2 UK GPU high performance computer… Continue Reading