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@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 Ana Luiza Martins Karl Leon Sulfierry Corrêa Costa Matheus Müller Pereira da Silva
Master's Students José Renato D Fajardo
Collaborators Aaron Leão Jaqueline da Silva Angelo

This README was last updated on 2024-08-06.

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  1. emmsb-recursos emmsb-recursos Public

    Repositório para materiais e documentos relevantes usados na XI EMMSB.

    Jupyter Notebook 11 1

  2. docktgrid docktgrid Public

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

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  3. generative-optim generative-optim Public

    Multi- and many-objective optimization in generative chemistry model latent spaces.

    Python 3

  4. CoV-2 CoV-2 Public

    Obtaining protein sequences, building datasets, examining the effects of non-synonymous changes, and using multiple sequence alignment on the SARS-CoV-2 Spike protein.

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  5. .github .github Public

Repositories

Showing 5 of 5 repositories
  • emmsb-recursos Public

    Repositório para materiais e documentos relevantes usados na XI EMMSB.

    gmmsb-lncc/emmsb-recursos’s past year of commit activity
    Jupyter Notebook 11 1 0 0 Updated Sep 3, 2024
  • .github Public
    gmmsb-lncc/.github’s past year of commit activity
    0 0 0 0 Updated Aug 8, 2024
  • generative-optim Public

    Multi- and many-objective optimization in generative chemistry model latent spaces.

    gmmsb-lncc/generative-optim’s past year of commit activity
    Python 3 0 0 0 Updated May 10, 2024
  • docktgrid Public

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

    gmmsb-lncc/docktgrid’s past year of commit activity
    Python 10 LGPL-3.0 2 0 0 Updated May 7, 2024
  • CoV-2 Public

    Obtaining protein sequences, building datasets, examining the effects of non-synonymous changes, and using multiple sequence alignment on the SARS-CoV-2 Spike protein.

    gmmsb-lncc/CoV-2’s past year of commit activity
    Python 1 0 0 0 Updated Feb 5, 2024

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