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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 AlphaFoldDB

    Python 7 2

  2. ChargeFW2 ChargeFW2 Public

    The core part of Atomic Charge Calculator II.

    C++ 23 10

  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

    JavaScript 1

Repositories

Showing 10 of 39 repositories
  • channelsdb Public

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

    sb-ncbr/channelsdb’s past year of commit activity
    JavaScript 0 MIT 1 0 1 Updated Jun 30, 2024
  • sb-ncbr/rings-conformation-validation’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jun 27, 2024
  • FFFold Public

    FFFold: A tool for the quick optimisation of protein structures from AlphaFold DB

    sb-ncbr/FFFold’s past year of commit activity
    JavaScript 4 MIT 1 0 0 Updated Jun 25, 2024
  • AtomicChargeCalculator2 Public

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

    sb-ncbr/AtomicChargeCalculator2’s past year of commit activity
    TeX 10 MIT 5 0 1 Updated Jun 11, 2024
  • MOLE Public

    A universal toolkit for rapid location and characterization of channels and pores in biomacromolecules

    sb-ncbr/MOLE’s past year of commit activity
    C# 0 MIT 0 0 0 Updated Jun 8, 2024
  • 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# 0 MIT 0 0 0 Updated Jun 8, 2024
  • pdb-data-cruncher Public

    PDB data cruncher collects data form PDB and transforms them for ValTrendsDB.

    sb-ncbr/pdb-data-cruncher’s past year of commit activity
    Python 1 0 2 0 Updated Jun 4, 2024
  • sqc Public

    SQC (Structure Quality Check) is a reimplementation of the PDB validation server.

    sb-ncbr/sqc’s past year of commit activity
    Python 0 MIT 0 0 0 Updated May 29, 2024
  • sqclib Public

    SQCLib is a python library for interacting with the Structure Quality Check server.

    sb-ncbr/sqclib’s past year of commit activity
    Python 0 0 0 0 Updated May 23, 2024
  • ppropt Public

    PPROpt is a Python application for the fast protein structure optimization.

    sb-ncbr/ppropt’s past year of commit activity
    Python 1 MIT 1 0 0 Updated May 22, 2024

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