Bioexcel

Webinar: Accelerating sampling in GROMACS with the AWH method (2019-09-24)

September 11, 2019September 13, 2019Clair Barrass Comment

BioExcel’s webinar series continue with a presentation by Berk Hess Register Abstract Simulation of conformational transitions in bio-molecules is often problematic because transitions [...]

Advanced GROMACS, HADDOCK + PMX Workshop

09 Oct, 2019 – 11 Oct, 2019 @ 12:00 – 13:00 – BioExcel, CSC and PRACE are holding a GROMACS/HADDOCK/PMX workshop in the CSC facilities in Espoo, Finland from October 9th through 11th. Participants will learn how to efficiently use GROMACS on complex super-computing infrastructure, how to model ligand binding and docking with HADDOCK, and how set up free energy evaluation protocols with PMX. The event will […] [...]

Hands-on Introduction to HPC for Life Scientists

30 Oct, 2019 – 01 Nov, 2019 @ 10:00 – 15:00 – This course provides an introduction to High-Performance Computing (HPC) for researchers in the life sciences, using ARCHER as a platform for hands-on training exercises. The course is organised and funded by BioExcel – the Centre of Excellence for Computational Biomolecular Research and PRACE, and delivered in collaboration with ARCHER – the UK national supercomputing service. […] [...]

Alchemical Free Energy Workshop 2019

27 May, 2019 – 28 May, 2019 @ All Day – Welcome to the European Alchemical Free Energy Workshop on 27-28 May 2019. If you are involved in drug design or biotech research, you may be familiar with the biennial Alchemical Free Energy workshops in the US. Based on the positive feedback from the workshop we co-organised in 2017, from this year, BioExcel, the leading European […] [...]