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Predicting antibiotic resistance de novo

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Fowler Lab
Fowler Lab

Predicting antibiotic resistance de novo

Category: GPUs

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…

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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…

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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…

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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…

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antimicrobial resistance

Accelerating Oxford Nanopore basecalling

Philip Fowler, 26th January 20175th August 2018

It looks innocuous sitting on the desk, an Oxford Nanopore MinION, but it can produce…

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computing

GROMACS on AWS: compiling against CUDA

Philip Fowler, 27th January 201623rd September 2018

If you want to compile GROMACS to run on a GPU Amazon Web Services EC2…

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