Structural bioinformatics research group at National Centre for Biomolecular Research

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README.md

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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AlphaCharges AlphaCharges Public

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

Python 12 2
ChargeFW2 ChargeFW2 Public

The core part of Atomic Charge Calculator III.

C++ 30 12
overprot overprot Public

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

Jupyter Notebook 2
SecStrAnnotator2 SecStrAnnotator2 Public

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

Jupyter Notebook 3
channelsdb channelsdb Public

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

TypeScript 1 2

Repositories

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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 Aug 25, 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
rings-conformation-validation Public

sb-ncbr/rings-conformation-validation's past year of commit activity

Python 3 MIT 1 0 0 Updated Aug 24, 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 12 Updated Jul 31, 2026
mddash-notebooks Public

sb-ncbr/mddash-notebooks's past year of commit activity

Jupyter Notebook 1 1 0 0 Updated Jul 25, 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 Jun 26, 2026
biosimcz_architecture Public
The architecture of BioSim CZ repository

sb-ncbr/biosimcz_architecture's past year of commit activity

HTML 1 0 0 0 Updated Jun 25, 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 May 20, 2026
biosimcz_schema Public
Metadata schema for BioSim CZ repository

sb-ncbr/biosimcz_schema's past year of commit activity

0 MIT 0 0 0 Updated May 18, 2026
dareg-api Public

sb-ncbr/dareg-api's past year of commit activity

Python 1 0 0 0 Updated May 14, 2026