BioExcel Alchemical Free Energy workshop Philip Fowler, 17th June 2019 0 shares Last month I was invited to give a talk on using alchemical free energy methods to predict antimicrobial resistance at a workshop in Göttingen organised by the Max Planck Institute for Biophysical Chemistry on behalf of BioExcel. You can read more about the meeting, which I hope will become a biennial event, here. Share this:Twitter Related antimicrobial resistance computing meetings molecular dynamics
antimicrobial resistance AMyGDA now available from GitHub 27th January 202027th January 2020 AMyGDA is a python module that analyses photographs of 96-well plates and, by examining each… Share this:Twitter Read More
molecular dynamics Installing GROMACS with MPI support on a Mac 5th December 2014 GROMACS is an optimised molecular dynamics code, primarily used for simulating the behaviour of proteins…. Share this:Twitter Read More
antimicrobial resistance New publication: how quickly can be calculate the effect of a mutation on an antibiotic? 20th November 202020th November 2020 The idea for this paper arose during talking over coffee at the BioExcel Alchemical Free… Share this:Twitter Read More