Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes
This paper has recently been published in the Journal of Chemical [...]
Webinar: Adaptive resolution methods in soft matter simulations (2018-02-22)
BioExcel’s webinar series continue with a special discussion on [...]
GROMACS 5.1.5 is out
The official release of GROMACS 5.1.5 is available! This release [...]
Webinar: Hybrid Molecular Mechanics/Coarse-Grained approaches to model proteins with unknown 3D structure and low sequence identity: the case of G protein-coupled receptors (2017-12-14)
BioExcel’s webinar series continue with a special discussion on [...]
Hear from our 2017 Hands-on Introduction to HPC travel grant beneficiaries
For each of our BioExcel training events we make a [...]
COMPSs 2.1 Release
The COMPSs software was updated to version 2.1 earlier this [...]
