About Us
About the project
This platform was created as the result of a Final Degree Project (TFG) proposed by MALL (Machine Learning in Life Sciences Laboratory) at the Universidade da Coruña. Its goal is to provide an intuitive and efficient virtual research environment to facilitate large-scale molecular docking experiments. Researchers in fields such as molecular biology, biochemistry, or pharmacology can select genes of interest and retrieve their corresponding protein products. From there, the system enables docking simulations with chemotherapeutic drugs across various computing platforms, including local HPC clusters, the Supercomputing Center of Galicia (CESGA), or any Unix-based machine. The results can be visualized interactively, including 3D representations of the docking and all associated data.
The platform is designed to be an accessible and flexible tool that streamlines the design and simulation processes in drug discovery, particularly in oncology and other areas of biomedical research. By leveraging distributed and high-performance computing resources, it allows for the execution of complex simulations in less time, optimizing researchers' workflows and accelerating the generation of meaningful scientific results.
Meet the team
Raúl Mouzo
Computer Engineering student and project developer
Dr. Carlos Fernández
Professor, researcher and project supervisor
Diego Fernández
Researcher and project supervisor
Dr. Francisco Abel Cedrón
Professor, researcher and project IT consultant
In collaboration with RePo-SUDOE
RePo-SUDOE is a European research initiative aimed at accelerating the discovery of new therapies through drug repurposing. By reusing existing drugs, the project seeks to make the process faster, more cost-effective, and efficient. Its primary objective is to establish the SUDOE region (Southwest Europe) as a leader in this field by promoting collaboration among universities, research institutions, and companies in the biopharmaceutical industry.
With a focus on cutting-edge technologies, advanced visualization tools, and transnational cooperation networks, RePo-SUDOE drives high-quality research and innovation, initially targeting cancer treatment, while enhancing the scientific and technological competitiveness of the region.
Collaborating entities
