Through collaborative partnerships, BioExcel is actively working on a number of major projects to address scientific problems and provide concrete solutions with impact to the wider biomolecular communities.
Current projects
- Antibody Design through Biomolecular Interactions Engineering
- High-Throughput Modelling of Interactomes
- Electronic Interaction Phenomena: Proton Dynamics and Fluorescent Proteins
- Rational Drug Design
Previous projects
- Covid-19 – extensive activities in response to the pandemic
- Rapid turnaround cancer analysis pipeline for high throughput sequencing data
- Free Energy Simulations of Biomolecular Complexes
- Multi-scale modeling of molecular basis for odor and taste
- Molecular Recognition
- Virtual Screening
Small-scale exploratory projects
- Standardization of BioExcel Building blocks
- biobb Web Server
- Workflow building blocks as KNIME nodes
- Druggable conformations of proteins from Enhanced-Sampling Molecular Dynamics
- One-stop shop workflow repository
- New interface for dynamic access to atom properties during GROMACS simulations
