NEWS: Recent work on coronavirus: Starting from the crystal structure of the main protease of SARS-CoV-2, we performed docking of a small peptide, mUNO, followed by elastic network model analysis, and molecular dynamics simulations of the complex.
See also our simulation of the spread of a disease, and the effect of isolation and reduction in mobility on the contagion rate.
Research: we work at the interface between biology, chemistry and physics. In a nutshell, we apply the tools of physics to biomolecular systems in order to understand how and why they work. The specific problems in which we are currently working are, among others, the CaMKII enzyme, the cp450 family, drug design, and the development and test of methods to calculate entropy and free energy of host-guest systems. In terms of the tools we use, they are mostly theoretical methods and computational simulations. More info here.
Teaching: We have been in charge of different courses in physics and chemistry, and we are compiling our lecture notes in this website. More info here.
Collaborations, students and postdocs: We are always looking for collaborations with researchers with similar interests, and who can complement our points of view. Students and postdocs are always welcome.
If you find the info/notes/software in these pages useful, or if you would like to help in our research, please consider the possibility of making a donation (via ko-fi and pay pal, clicking the “Buy me a coffee” button, or via mercadopago, clicking the “Donate” button) to help us develop new tools or buy new and more powerful computers where we can run our simulations. Thanks so much!
Thanks NVIDIA Corporation for supporting our research through the donation of Titan V GPUs!!!
Yet nature is made better by no mean
But nature makes that mean: so, over that art
Which you say adds to nature, is an art
That nature makes
William Shakespeare, The Winter’s Tale, 4.4.79-103