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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 68 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 0 Updated Oct 3, 2026
  • ChargeFW2 Public

    The core part of Atomic Charge Calculator III.

    sb-ncbr/ChargeFW2's past year of commit activity
    C++ 30 MIT 12 4 0 Updated Oct 3, 2026
  • golem Public

    GOLEM: distribution of Gene regulatOry eLEMents within the plant promoters

    sb-ncbr/golem's past year of commit activity
    Dart 0 2 0 1 Updated Sep 29, 2026
  • proptimus_raphan Public

    Application for the rapid optimisation with constrained alpha carbons

    sb-ncbr/proptimus_raphan's past year of commit activity
    Python 3 MIT 3 0 0 Updated Sep 25, 2026
  • proptimus_live Public

    Constrained α-carbons optimisation of protein structures

    sb-ncbr/proptimus_live's past year of commit activity
    TypeScript 2 MIT 1 0 0 Updated Sep 25, 2026
  • dareg-ui Public
    sb-ncbr/dareg-ui's past year of commit activity
    JavaScript 1 1 0 0 Updated Sep 22, 2026
  • dareg-api Public
    sb-ncbr/dareg-api's past year of commit activity
    Python 1 0 0 0 Updated Sep 22, 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 Sep 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 Aug 25, 2026
  • sb-ncbr/rings-conformation-validation's past year of commit activity
    Python 3 MIT 1 0 0 Updated Aug 24, 2026