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Computational Biomolecular Research

The Centre of Excellence for Computational Biomolecular Research (BioExcel) is currently running in its 3rd phase. BioExcel’s mission is to provide applications, tools, support, and networking opportunities to Life Science researchers, enabling them to address grand scientific challenges by fully exploiting the power of data and computing e-infrastructure. Powerful and sophisticated software packages are critically important for fundamental and applied research, including industrial development, in particular in the areas of drug design, biotechnology, food and chemical industries.

 

Improving the performance and scalability of major simulation packages for more efficient usage of HPC resources

Improving the usability of existing and devising new workflows and environments with associated data integration

Competence-building among both academia and industry through extensive training programs and promotion of best practices.

 

(c) BioExcel

The CoE consortium is dedicated to establishing the centre as a long-term support structure for the needs of academic/non-profit and industrial users (pharmaceutical, chemical and food industries); ISVs and academic code developers; national and commercial resource providers.


The CoE consortium is dedicated to establishing the centre as a long-term support structure for the needs of academic/non-profit and industrial users (pharmaceutical, chemical and food industries); ISVs and academic code developers; national and commercial resource providers.

Runtime: 01/2023 - 12/2026

Success Stories & Use Cases

 
  CoE BioEXCEL-3
Use Case


bioexcel: Electronic Interaction Phenomena
BioExcel: Electronic Interaction Phenomena: Proton Dynamics and Fluorescent…

Short Description Proton Dynamics Mass spectrometry has revolutionized proteomics, i.e. the investigation of the myriad of protein/protein…

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