iBB

In the past 22nd and 23rd of May, PhD students from the Biotechnology and Biosciences doctoral program, Luís Sousa and Ricardo Pereira, attended the First Workshop on Computational Enzyme Bioprospecting and Engineering at the Barcelona Supercomputing Center (BSC). As a part of a joint program between two European projects, Oxipro (DOI 10.3030/101000607) and FuturEnzyme (DOI 10.3030/101000327), the last where IST-ID is a working partner headed by  Carla C. C. R. de Carvalho (iBB), the attendees were able to use the leading softwares for computational protein engineering. With Galaxy, attendees were able to create and develop their own workflows for Computational Bioprospecting, HMM routines, and basic sequence similarity analysis. For Protein Engineering, the Schrodinger Suite and the AsiteDesign Galaxy were made available to perform analysis and visualization of enzyme structures, perform tasks such as system preparation, visualization, sitemap calculations, ligand docking and enzyme redesign. The workshop promoted interdisciplinary thinking and collaboration between different fields, highlighted the real-world applications of computational protein engineering, and its importance in advancing our understanding of biological systems and developing new solutions for global challenges.