BioExcel is actively working on a number of projects to address scientific problems aiming to provide concrete solutions which will have an impact on the wider biomolecular communities. Some of our work has led to distinct success stories and a number of publications.
Current projects (showcases)
MD simulations & Auto-associative Neural Networks (ANN). Mapping dynamic differences between MD simulation trajectories
Coevolution-driven metadynamics simulations from Coarse-Grained conformational sampling and ML-derived transition coordinates
An antibody/nanobody design pipeline
Whole cell model to probe interactions at many distances and timescales
