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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 III.

    C++ 30 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 70 repositories
  • gromacs-bioid Public
    sb-ncbr/gromacs-bioid's past year of commit activity
    TypeScript 2 BSD-3-Clause 0 0 0 Updated Oct 21, 2026
  • 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 2 Updated Oct 20, 2026
  • channelsdb Public

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

    sb-ncbr/channelsdb's past year of commit activity
    TypeScript 1 MIT 2 0 0 Updated Oct 20, 2026
  • moleonline-web Public

    MOLEonline is a fast service for calculating tunnels and pores in biomacromolecular structures

    sb-ncbr/moleonline-web's past year of commit activity
    TypeScript 3 MIT 1 0 0 Updated Oct 19, 2026
  • moleonline-api Public

    API service for the MOLEonline application

    sb-ncbr/moleonline-api's past year of commit activity
    Python 0 MIT 0 0 0 Updated Oct 19, 2026
  • rings-conformation-validation Public

    The workflow for identifying rings in non-standard residues of PDB structures and analysing their conformations. It generates a dataset for the RingPDB web.

    sb-ncbr/rings-conformation-validation's past year of commit activity
    Python 3 MIT 1 0 0 Updated Oct 19, 2026
  • ring_pdb Public

    RingPDB is a web application for exploring the conformations of rings in non-standard residues of experimentally determined structures from PDB.

    sb-ncbr/ring_pdb's past year of commit activity
    TypeScript 0 MIT 0 0 0 Updated Oct 19, 2026
  • webchemistry Public

    Webchemistry is a set of tools for analysis of 3D structural data from the Protein Data Bank implemented in C#.

    sb-ncbr/webchemistry's past year of commit activity
    C# 1 MIT 1 0 0 Updated Oct 17, 2026
  • dareg-docs Public

    Documentation of a DAtaset REGistry Information system

    sb-ncbr/dareg-docs's past year of commit activity
    MDX 0 0 0 0 Updated Oct 15, 2026
  • profile-guided-deposition Public

    Profile guided deposition for CESNET Invenio

    sb-ncbr/profile-guided-deposition's past year of commit activity
    Python 0 MIT 0 0 0 Updated Oct 15, 2026