The BioExcel Summer School on Biomolecular Simulations is an annual summer school organized by BioExcel, the leading European Centre of Excellence for Computational Biomolecular Research.

Taking place from June 16 to 21, the 2024^th edition was held at the Science and Technology Park of Sardinia, Italy. The event is primarily intended for PhD and post-doctoral researchers using or planning to use biomolecular modeling and simulation in their research, providing a comprehensive combination of lectures and tutorial sessions on biomolecular modeling and simulations using modern applications and tools.

The summer school included lectures and hands-on sessions on the following topics: Molecular Dynamics Simulations, Biomolecular Docking, Free Energy Calculations, Advanced Sampling Methods, And Quantum Mechanics/Molecular Mechanics.

The RELIANCE project was represented by our partners from the University of Patras (UPAT). During this event, two poster sessions were held, where the UPAT team displayed their work regarding the structural dynamics of keratin-derived antimicrobial peptides (KAMPs) in dilute and semi-dilute solutions. Furthermore, the team’s recent work on the study the KAMPs’ interactions with model Gram-positive and Gram-negative bacterial membranes was also presented, along with the examination of the alternative approaches to the problem, involving the construction of a pre-defined pore for the assessment of the latter’s stability. Moreover, an overview of the peptidoglycan model that has been utilized was also provided during the presentation.

Check the poster presented during the event here.