Biomolecular Simulations

Biomolecular simulations make use of computer programs to recreate and visualize the behavior and phenomena that rule biological processes at the molecular level. These tools make it possible to simulate experiments in more controlled conditions than in cells or living organisms, and to perform “theoretical experiments” that would be technically impossible.

These possibilities have resulted in important advances in biomedicine, facilitating the understanding of mechanisms of diseases and the development of drugs, for example. In the Biomolecular Simulations Laboratory, we apply different molecular modelling techniques and simulations to several problems of biomedical interest, such as the stability of viral particles of Zika and Dengue or interactions between proteins that participate in the contraction of the cardiac muscle. These activities are carried out in collaboration with experimental groups in Uruguay and abroad.

Finally, an important part of our work is dedicated to the development of coarse-grained methods to perform advanced simulations at low computational cost. These methods offer the possibility of improving the comparability of theoretical studies with biochemical / biophysical or molecular biology experiments.