Past partners
Past Partners [...]
Need a new search?
If you didn't find what you were looking for, try a new search!
BioExcel Summer School on Biomolecular Simulations 2023
Registration for our Summer School this year is closed [...]
BioExcel Summer School on Biomolecular Simulations 2023
Registration for our Summer School this year is now open! [...]
Software new
Core applications GROMACS is one [...]
BioExcel Centre of Excellence begins phase three
BioExcel, the leading European Centre of Excellence for computational biomolecular [...]
Intro to HPC for Life Scientists
Would you like to learn how to leverage #HPC resources [...]
List of publications
This page lists all publications with BioExcel acknowledgements or authors. [...]
Automated relative binding free energy calculations: from SMILES to ΔΔG
In drug discovery, computational methods are a key part of [...]
Packaging research artefacts with RO-Crate
RO-Crate is a structured archive of all the items that contributed to a research outcome, including their identifiers, provenance, relations and annotations. As a general purpose packaging approach for data and their metadata, RO-Crate is used across multiple areas, including bioinformatics, digital humanities and regulatory sciences. By applying “just enough” Linked Data standards, RO-Crate simplifies the process of making research outputs FAIR while also enhancing research reproducibility.
Webinar: Introducing HADDOCK3, Enabling modular integrative modelling pipelines (2022-06-07)
João M.C. Teixeira introduces the new version 3 of HADDOCK.
