A specialized scientific team dedicated to the development and application of sophisticated molecular modeling methodologies for drug design.
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The GMMSB group develops computer-aided drug design (CADD) software. Check out our GitHub page.
Receptor-Ligand Docking
Protein Structure Prediction
ML & AI for Molecular Modelling
Molecular Modelling Applications
About the Group
GMMSB @ LNCC
The GMMSB Group, part of the National Laboratory for Scientific Computing (LNCC) under the Ministry of Science, Technology, and Innovation (MCTI), is a dynamic, multidisciplinary research team based in the mountain city of Petrópolis, Rio de Janeiro. Established in 2002, our group brings together expertise in biology, physics, applied mathematics, and high-performance computing.
Our primary focus lies in advancing computational methods for rational drug design, ab initio protein structure prediction, and quantum calculations of biological macromolecule electrostatic properties. We also play a pivotal role in LNCC's Computational Modelling post-graduate program, offering Master's and Ph.D. degrees to students from diverse scientific backgrounds.
Our group also organizes the biannual School of Molecular Modeling of Biological Systems (EMMSB) since 2002 — a nationally recognized academic event. Learn more →
Get in Touch
Quitandinha, Petrópolis - RJ, Brazil
Laboratório Nacional de Computação Científica (LNCC)