Acellera is a Barcelona based company focused on providing new technologies for the study of biophysical phenomena. For the past 8 years, Acellera’s R&D programme has focused on developing software and hardware solutions that optimize the efficiency and throughput of molecular dynamics simulations. Our first innovation, ACEMD, demonstrated accelerator processors (GPUs) as an entry to high efficiency computing for MD simulations, and furnished personal workstations with cluster- computer levels of performance at a fraction of the cost. Acellera leverages the power of GPUs to enable molecular dynamics simulations in high-throughput. Whether in-house (Metrocubo), or over the cloud (AceCloud), Acellera’s technology delivers efficient solutions for biotechnology research, including the discovery of active small molecules using the fragment approach. The Binding Assay by Acellera computationally yields binding constants, poses, pathways and kinetic constants with a level of detail and accuracy that is unique worldwide.

Acellera will play a substantial role in WP2: Biomedical Research Activities, WP4: Innovation and Sustainability, and WP6: Empowering Biomedical Applications. Acellera will provide technology and knowhow for large-scale molecular simulations and analysis. Acellera will participate in the following research activities within the Molecular-based Medicine theme: Molecular simulation of the transport properties and mechanism of gating, to decipher the key factors controlling selectivity; Fragment-based drug design for GPCR targets; rational antibody design for EGFR inhibitors.