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@sb-ncbr

Structural bioinformatics research group at National Centre for Biomolecular Research

Welcome to the website of the Structural bioinformatics research group. Our research group is affiliated with the National Centre for Biomolecular Research at the Faculty of Science, Masaryk University.

In our research, we focus on analysing protein structures, protein fragments, and whole protein families. Specifically, we visualise, validate, and annotate protein structures, detect protein channels and fragments, and calculate the properties of proteins. In parallel, we also develop software tools for performing these analyses. Our software is integrated into key structural bioinformatics databases such as Protein Data Bank and CATH.

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  1. AlphaCharges AlphaCharges Public

    𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFold DB

    Python 12 2

  2. ChargeFW2 ChargeFW2 Public

    The core part of Atomic Charge Calculator II.

    C++ 29 12

  3. overprot overprot Public

    OverProt creates an overview of secondary structure elements in protein families.

    Jupyter Notebook 2

  4. SecStrAnnotator2 SecStrAnnotator2 Public

    SecStrAnnotator is a software tool for annotation (naming) of secondary structure elements.

    Jupyter Notebook 3

  5. channelsdb channelsdb Public

    ChannelsDB 2 - a comprehensive and regularly updated resource of channels, pores and tunnels

    TypeScript 1 2

Repositories

Showing 10 of 64 repositories
  • AtomicChargeCalculator Public

    Atomic Charge Calculator III (ACC III) is an application for fast calculation of partial atomic charges.

    sb-ncbr/AtomicChargeCalculator’s past year of commit activity
    Python 16 MIT 6 0 6 Updated Feb 11, 2026
  • sb-ncbr/mddash-notebooks’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Feb 11, 2026
  • proptimus_raphan Public

    Application for the rapid optimisation with constrained alpha carbons

    sb-ncbr/proptimus_raphan’s past year of commit activity
    Python 2 MIT 3 0 0 Updated Jan 26, 2026
  • sb-ncbr/rings-conformation-validation’s past year of commit activity
    Python 2 MIT 1 0 1 Updated Jan 11, 2026
  • c1473-public Public

    Výukové materiály pro předmět PřF:C1473

    sb-ncbr/c1473-public’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Jan 8, 2026
  • sb-ncbr/proptimus_live’s past year of commit activity
    TypeScript 0 MIT 0 0 0 Updated Dec 20, 2025
  • AlphaCharges Public

    𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFold DB

    sb-ncbr/AlphaCharges’s past year of commit activity
    Python 12 MIT 2 0 0 Updated Dec 16, 2025
  • sb-ncbr/proptimus_prime’s past year of commit activity
    Python 2 MIT 0 0 0 Updated Dec 15, 2025
  • ChargeFW2 Public

    The core part of Atomic Charge Calculator II.

    sb-ncbr/ChargeFW2’s past year of commit activity
    C++ 29 MIT 12 3 1 Updated Dec 14, 2025
  • gromacs-metadump Public

    A tool to describe GROMACS molecular dynamics simulations with powerful metadata.

    sb-ncbr/gromacs-metadump’s past year of commit activity
    TypeScript 3 BSD-3-Clause 3 2 0 Updated Dec 8, 2025