Skip to content
@gmmsb-lncc

Grupo de Modelagem Molecular de Sistemas Biológicos

Scientific team dedicated to the development and application of molecular modeling methodologies for drug design

The GMMSB GMMSB-logo, part of the National Laboratory for Scientific Computing (LNCC/MCTI), is a dynamic, multidisciplinary research team based in 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.

Role People
Group Leader Laurent Dardenne
Permanent Researchers Fábio Lima Custódio Isabella Alvim Guedes
Post-Doctoral Researchers Letícia Cristina de Assis
PhD Students José Renato D Fajardo Leon Sulfierry Corrêa Costa
Master's Students Mônica Pontes
Collaborators/Alumni Aaron Leão Ana Luiza Martins Karl Jaqueline da Silva Angelo Matheus Müller Pereira da Silva

This README was last updated on 06-04-2026.

Popular repositories Loading

  1. emmsb-recursos emmsb-recursos Public

    Repositório para materiais e documentos relevantes usados na XI EMMSB.

    14 1

  2. docktgrid docktgrid Public

    Generate customized voxel representations of protein-ligand complexes using GPU.

    Python 11 3

  3. docktdeep docktdeep Public

    CNN-based protein-ligand scoring function.

    Python 6

  4. carcara-sdumont carcara-sdumont Public archive

    Carcará platform on the Santos Dumont Supercomputer - LNCC/MCTI

    C++ 6 1

  5. generative-optim generative-optim Public

    Multi- and many-objective optimization in the latent space of generative chemistry models.

    Python 5

  6. brazmedchem2025 brazmedchem2025 Public

    GMMSB presentations @ the Brazilian Symposium on Medicinal Chemistry (BrazMedChem) 2025 - Búzios (RJ).

    5

Repositories

Showing 10 of 10 repositories

Top languages

Loading…

Most used topics

Loading…