A simple tutorial on analysing membrane protein simulations. Philip Fowler, 3rd September 2014 I’m teaching a short tutorial on how to analyse membrane protein simulations next week at the University of Bristol as part of a series arranged by CCPBioSim. As it is only 90 minutes long, it only covers two simple tasks but I show how you can do both with MDAnalysis (a python module) or in Tcl in VMD. Rather than write something and just distribute it to the people who are coming to the course, I’ve put the whole tutorial, including trajectory files and all the example code here on Github. Please feel free to clone it, make changes and send a pull request (or just send me any comments). 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 molecular dynamics teaching
antimicrobial resistance New publication: Predicting resistance is (not) futile 21st August 201921st August 2019 Our “First Reactions” article has been published in ACS Central Science. We discuss the paper,… 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
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: 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
computing Running GROMACS on an AMD GPU using OpenCL 10th July 2015 I first used an Apple Mac when I was eight. Apart from a brief period… 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