New publication: Predicting resistance is (not) futile Philip Fowler, 21st August 201921st August 2019 Our “First Reactions” article has been published in ACS Central Science. We discuss the paper, Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven Approaches, by Matteo Aldeghi, Vytautas Gapsys and Bert de Groot, which is in the same issue of the journal. Aldeghi et al. apply a series of methods to try and predict the effect of individual mutations on how well tyrosine kinase inhibitors bind to the Abl kinase. These methods include not only alchemical free energy methods but also machine learning. You can read it here. Share this: Click to share on X (Opens in new window) X Click to share on Bluesky (Opens in new window) Bluesky Click to email a link to a friend (Opens in new window) Email Click to share on LinkedIn (Opens in new window) LinkedIn Click to share on Mastodon (Opens in new window) Mastodon Related antimicrobial resistance molecular dynamics publication
New refereed preprint: BashTheBug 31st March 202231st March 2022 BashTheBug is a citizen science project hosted on the Zooniverse platform that we launched in… Share this: Click to share on X (Opens in new window) X Click to share on Bluesky (Opens in new window) Bluesky Click to email a link to a friend (Opens in new window) Email Click to share on LinkedIn (Opens in new window) LinkedIn Click to share on Mastodon (Opens in new window) Mastodon Read More
molecular dynamics New Publication: Alchembed 12th June 2015 In much of my research I’ve looked at how proteins embedded in cell membranes behave. An… Share this: Click to share on X (Opens in new window) X Click to share on Bluesky (Opens in new window) Bluesky Click to email a link to a friend (Opens in new window) Email Click to share on LinkedIn (Opens in new window) LinkedIn Click to share on Mastodon (Opens in new window) Mastodon Read More
New publication: detecting minor populations important for predicting fluoroquinolone resistance 5th April 20238th December 2023 When predicting if an infection is resistant or susceptible to a specific antibiotic, it is… Share this: Click to share on X (Opens in new window) X Click to share on Bluesky (Opens in new window) Bluesky Click to email a link to a friend (Opens in new window) Email Click to share on LinkedIn (Opens in new window) LinkedIn Click to share on Mastodon (Opens in new window) Mastodon Read More