Our work focuses on discovering and designing biomolecular systems with pharmacological potential by integrating computational modeling and quantitative analysis with experimental determination of molecular binding, advancing reproducible and open strategies for molecular science and drug discovery.
Latest updates
Computational Biology Is Not Simply Bioinformatics
There is a tendency to treat bioinformatics and computational biology as interchangeable. We do computational biology: our starting point is not a dataset to analyze but a molecular system we want to understand, and we build physical, mathematical, and computational models to reproduce its thermodynamics, kinetics, and dynamics. This piece explains what we mean by computational biology and how our work relates to, and differs from, bioinformatics.
pytest-receptor 1.0 released
pytest-receptor 1.0 is out on PyPI and our conda channel. It is a pytest reporter built for coding agents: compact output that never fabricates a verdict and groups failures by root cause. It auto-discovers on install and changes nothing about normal pytest unless you opt in.
UIBCDF has a new website
We are very happy to open this new space and share it with our community. Our goal is to make it easier to discover who we are, what we work on, and how our research evolves over time. Here you can explore our research lines, team, publications, software, and a unified updates stream with seminars, opportunities, and scientific announcements. Thank you for visiting, and please check back regularly as we continue growing this site.
Diego Prada Gracia and Liliana M. Moreno Vargas · Co-PIs, Senior Researchers
Unidad de Investigación en Biología Computacional y Diseño de Fármacos
Hospital Infantil de México Federico Gómez
Torre de Hemato-Oncología e Investigación
Calle Dr. Márquez 162, Alcaldía Cuauhtémoc
06720, Ciudad de México, México.