Laboratory for Molecular Modelling and Dynamics
We are a passionate team of scientists striving to better understanding molecular phenomena
Research Areas
CADD
Computer Aided Drug Design
QM
Quantum mechanics-based calculations
Software
We build computatinal biology software
Protein Folding
Analyses towards the folding process
Molecular Dynamics
We simulate molecules in motion
Metabolic Networks
A holistic way to gaze the metabolism
A lab with a lot of History
LMDM, initially structured in 2001, has been strongly involved in the application of computational methods to investigate a wide range of biological problems. Historically, we have used molecular modeling methods, especially proteins, followed by Molecular Dynamics simulations (under classical and/or quantum regimes) to study and characterize different systems and phenomena of biological interest, including: enzyme inhibition, biomembranes and protein folding.
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For science and for health
We investigate therapeutic targets for the treatment of HIV, DENV, ZIKV, Y. pestis, T. cruzi, P. falciparum and cancer, among others. We develop automated methods for prospecting biological targets and their potential modulators, which involves the use of large-scale approaches, such as: modeling of complete proteomes, analysis of metabolic networks, virtual screening and data analysis assisted by artificial intelligence.
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