About Us

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).

Research Groups


Development and application of computational modeling methods.


Molecular modeling applied to the study and development of new drugs


Research and projects in the area of History of Science in Brazil at UFRJ.

Research Topics

Molecular Modeling and Simulation of Biomolecular Systems
Protein, membranes, lipids and carbohydrates.

Nanobiotechnological Applications
Drug delivery systems.

Medicinal Chemistry Applications
Drug discovery.

Computational Intelligence
Artificial neural networks, evolutionary computation and fuzzy logic.

Group Leaders

Prof. Ricardo B. de Alencastro
LabMMol - Laboratory Leader

Prof. Bruno A. C. Horta
MSSM - Group Leader

Prof. Magaly G. Albuquerque
ModMolFar - Group Leader

Prof. Nadja P. dos Santos
HCTB -Group Leader

Group Members

Contact Us

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