Carla Teixeira, Fábio Martins and Rita Magalhães participated in the EMBO Workshop: Advances and Challenges in Biomolecular Simulations. This international workshop took place online between October 18th and June 21st, 2021.
Carla Teixeira presented a poster communication on the QM/MM mechanistic study of enzyme Nitrilase 2. Fábio Martins and Rita Magalhães both presented poster communications on the development of specialized multi-level computational approaches for the identification of novel quorum sensing inhibitors in different protein targets.
The four-day workshop comprised several sessions by invited speakers, accepted oral communications, and two poster sessions. The event focused on the recent developments of the biomolecular simulation world, in proteins, cells and DNA/RNA. Some of the invited speakers were Alexander MacKerell (University of Maryland, US), Christine Orengo (University College London, UK), Giula Rossetti (RWTH-Aachen and Juelich, DE), Kresten Lindorff-Larsen (University of Copenhagen, DK), Lynn Kamerlin (Uppsala University, SE), Ora Furman-Schueler (The Hebrew University of Jerusalem, IL), Sarah Rauscher (University of Toronto Mississauga, CA), Syma Khalid (University of Oxford, UK), Tamar Schlick (New Yor University, US), Thomas Cheatham (University of Utah, US), Modesto Orozco (IRB Barcelona, ES), and William Jorgensen (Yale University, US). The event was an excellent learning and knowledge-sharing opportunity.