Principal Investigator:
Jürgen Pleiss
, Institute of Biochemistry and Technical Biochemistry, University of Stuttgart (Germany)
HPC Platform used:
Hazel Hen of HLRS
Local Project ID:
Biocat
The development of novel sustainable biocatalytic processes requires systematic studies of the molecular interactions between enzymes, substrates, and solvents. Based on the HLRS HPC infrastructure, comprehensive molecular simulations were performed to investigate substrate binding in enzymatic reaction systems.
