The team formed by Javier Luque and Xavier Barril, researchers at IBUB, and Tiziana Ginex, researcher at the CIB-CSIC, has been awarded under the PRACE Fast Track Call for Proposals for the project requesting computing resources to contribute to the mitigation of the impact of the COVID-19 pandemic.
The project, called Targeting conformational changes implicated in early events of viral entry was awarded with 15 300 000 core hours on Hawk hosted by GCS at HLRS, Germany, for 6 months.
The project pursues a twofold aim: i) to disrupt viral entry by finding small molecules able to interfere with the conformational changes in the spike protein prior to binding to the host cell, and ii) to characterize the structural and energetic changes implicated in such conformational transition in both free and ligand-bound spike proteins.
More information [projects to mitigation COVID-19 pandemic, PRACE website]
