Webinar: What’s new in GROMACS 2025 (2025-2-18)
View slides on Zenodo Access our forum [...]
Webinar: Accounting for protein and ligand flexibility in molecular docking and virtual screening of challenging targets (2025-1-28)
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BioExcel congratulates Nobel Prize in Chemistry 2024 winners
By Alexandre Bonvin This year the Nobel Prize in Chemistry [...]
2024 ACM Gordon Bell Prize awarded for advances in Molecular Dynamics simulations using exascale computing
By Rossen Apostolov and Richard Norman Achieving peak scalability and [...]
BioExcel supports establishment of FAIR principles in biomolecular simulations
After decades of development, Molecular Dynamics (MD) has reached maturity. [...]
BioExcel supported the LIGATE Computer-Aided Drug Design workflow
Alchemical free energy calculations, commonly used in computer-aided drug design, [...]
