We completed the production of our new introductory video “Presenting BioExcel: A central hub for biomolecular modelling and simulations “! Learn about our center in just a few minutes! Kudos to Apostolos Vasileiadis from Third Pända Film for the great production! Check out his work Facebook, Twitter, Instagram and Vimeo.
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 […]
FZ Jülich, a BioExcel partner, is using CPMD, a leading QM/MM software package, to understand more about how Parkinson’s disease develops. Parkinson’s disease (PD) is a devastating disorder, affecting a growing number of people worldwide, due to the overall aging of the human population. The disease is known for its […]
Do you want to join BioExcel as a researcher working with GROMACS? We have an open position right now. Deadline for application – June 16th. As part of this center, we seek a researcher who will work with development of algorithms, programs and computational techniques focused on molecular dynamics, in […]
BioExcel partners at the Institute for Research in Biomedicine IRB in Barcelona unravel the mechanisms for enzyme regulation by using advanced techniques for enhanced sampling and free energy calculations. When one is managing a large-scale operation in which any misstep can lead to a catastrophe, it is only natural that […]
The first project releases of the supported codes are out! You can find all the packages here: http://bioexcel.eu/software/code-repositories. All BioExcel-supported new modules are offered under a suitable free open-source license: Lesser GNU General Public License, versions 2.1 (GROMACS and CPMD QM/MM), version 3 (pmx) and either the Apache 2.0 or […]