The research at LabMMol focuses on molecular modeling and simulation of biomolecular systems including proteins, membranes, lipids and carbohydrates, as well as their interactions with small organic compounds that could modulate their activity. The insights provided by molecular modeling and simulation are useful to help understanding the underlying mechanisms of such biological systems at the atomic level (both structurally and dynamically) and also to provide tools for exploring the interactions of biomacromolecules with small molecules and with other macromolecules. These insights may serve to guide medicinal chemistry applications (e.g. drug discovery) and also nanobiotechnological applications (e.g. drug delivery systems).
Molecular Modeling and Simulation of Biomolecular SystemsProtein, membranes, lipids and carbohydrates.
Nanobiotechnological ApplicationsDrug delivery systems.
Medicinal Chemistry ApplicationsDrug discovery.
Computational IntelligenceArtificial neural networks, evolutionary computation and fuzzy logic.
Instituto de Química – UFRJ
Av. Athos da Silveira Ramos, 149
Centro de Tecnologia, Bloco A, Sala 609
21941-909, Cidade Universitária
Rio de Janeiro – RJ, Brazil