A specialized scientific team dedicated to the development and application of sophisticated molecular modeling methodologies for drug design.
About us ↓Web Services
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.
EMMSB
Our group takes pride in hosting the biannual School of Molecular Modeling of Biological Systems (EMMSB) since 2002. EMMSB is a prominent academic gathering that delves into diverse realms of computational molecular modeling, molecular dynamics, drug development, bioinformatics, quantum calculations applied to biological systems, and beyond.
Featuring lectures by esteemed researchers, hands-on workshops, and student presentations, the event has garnered nationwide recognition. In close collaboration with IBCCF/UFRJ and FIOCRUZ/MS, these schools have left a significant impact on the scientific community.
Schools
Get in Touch
Quitandinha, Petrópolis - RJ, Brazil
Laboratório Nacional de Computação Científica (LNCC)