Mirren White

GROMACS Release 2016.4

Hi GROMACS users, The official release of GROMACS 2016.4 is available! This release fixes several issues found since 2016.3, including disabling the broken support for automatic PME tuning in mdrun for group-scheme simulations, and various other fixes. It also implements production-ready support for CUDA 9 + Volta generation GPUs, along with other portability enhancements. It incorporates all […]

Chemogenomics Analyst, EMBL-EBI

EMBL-EBI is looking for a Chemogenomics Analyst to support their work for the Horizon 2020 project “Coordinated Research Infrastructures Building Enduring Life-science services” (Corbel). The role is to work directly with scientists from around Europe in their use of our chemogenomics resources (particularly ChEMBL), to progress their research projects and to […]

Bioinformatician, EMBL-EBI

BioExcel partner EMBL-EBI, based in Hinxton, near Cambridge, are looking for an experienced Bioinformatician to be involved in large-scale biological data analysis and integration for target identification and prioritisation within the core Open Targets team. Open Targets is a recently established public-private initiative between the EBI, GlaxoSmithKline, Biogen and the […]

Job: Applications Developer, KTH

PDC, the computing centre at KTH in Stockholm, is looking for an applications developer to join their team, potentially to work on the BioExcel project! Apply now if you’re interested in joining the team. Job description The successful candidate will join the PDC support team working closely with academic researchers to […]

The pmx Webserver: a Powerful Tool for Free Energy Calculations

BioExcel supports the development of pmx, a tool for researchers utilising free energy calculations. Free energy calculations are extremely common in life sciences research. In molecular dynamics simulations, such as investigating how mutations affect protein function, these calculations provide insight into stability and affinity changes. One important branch of free […]