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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++ 31 13

  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 73 repositories
  • chargefw Public

    Charge calculation framework

    sb-ncbr/chargefw's past year of commit activity
    C++ 1 MIT 0 0 0 Updated Nov 7, 2026
  • sb-ncbr/proptimus_preoptimer's past year of commit activity
    Python 0 MIT 0 0 0 Updated Nov 5, 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 Nov 4, 2026
  • moleonline Public

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

    sb-ncbr/moleonline's past year of commit activity
    TypeScript 0 MIT 0 0 0 Updated Nov 4, 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 Nov 4, 2026
  • charges-schema Public

    mmCIF schema describing the charges entries from Atomic Charge Calculator

    sb-ncbr/charges-schema's past year of commit activity
    Python 0 MIT 0 0 0 Updated Nov 4, 2026
  • dareg-ui Public
    sb-ncbr/dareg-ui's past year of commit activity
    JavaScript 1 1 0 0 Updated Nov 3, 2026
  • dareg-api Public
    sb-ncbr/dareg-api's past year of commit activity
    Python 1 0 0 0 Updated Nov 3, 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 29, 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 17 MIT 7 0 0 Updated Oct 27, 2026