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.


Key Personnel

Dr Franck Chevalier – Obtained a Degree in biochemistry (1998) and doctorate in structural biology and nanobiology (2004) at Joseph Fourier University in Grenoble, France. Dr. Chevalier has over 12 years of experience in structural studies using biophysical and biochemical methods applied to the discovery of drugs in the pharmaceutical industry (Sanofi, Oryzon). He obtained an MBA (EFEM Madrid, 2011) and has double competence for project and small business management. At Acellera, Franck is responsible for Business management, B2B, B2C and marketing activities. He represents Acellera at national and international events as well as at client meetings.


Dr Matt Harvey – Chief Technology Officer at Acellera and HPC Systems Analyst at Imperial College London UK. Matthew holds degrees in astrophysics (BSc) and information technology (MSc) from University College London. After a period working in the financial services IT industry he joined the Centre for Computational Science at UCL where he worked as a Computing Officer (RealityGrid) and Research Associate (FOXD), before moving to Imperial College London to establish an institutional High Performance Computing Service.


João Damas – Scientist and Software developer. After graduating in biochemistry in 2007, João has followed a career on computational molecular biophysics, with 9 years of accumulated experience working with molecular dynamics, docking, homology modelling, free energy calculations and Markov state modelling. He has authored seven papers in peer- reviewed journals, as well as actively participated in dozens of scientific conferences. He is experienced in programming and IT management. For the last year and a half, he has been working for Acellera in the context of the pharmaceutical industry, developing software solutions to facilitate drug discovery.


Irene Escolar – Engineer in management of natural resources by the Universidad Politécnica de Madrid (2005). Irene has over 11 years experience in the conceptualization and coordination of collaborative RTD projects, with special focus on the valorisation of results. Before joining Acellera, Irene had worked as external consultant for regional governments and the private sector; and as research project manager for both the CISTIB (UPF) and the Health Technology Assessment Unit of Hospital CLINIC de Barcelona. During those years, she has been directly involved in more than 25 European research projects both as participant or as project manager.

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