BioExcel Building Blocks tutorials: Macromolecular Coarse-Grained Flexibility

This tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures using Coarse-Grained tools from the FlexServ server and analysing its molecular flexibility

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Topics

Biomolecular simulation Data visualisation Sequence sites, features and motifs Structure analysis Structure prediction

Collections

BioExcel

Details

License:: Apache-2.0
Maturity:: Emerging
Cost:: Free of charge
Tool Type:: workflow
Operating Systems:: Linux, Mac, Windows
Programming Languages:: Python
Added:: 8/29/2023
Last Updated:: 6/23/2026

Operations

Data Inputs & Outputs

Essential dynamics

Inputs

Protein structure
- PDB

Outputs

Trajectory data

Publications

DOI: 10.1038/s41597-019-0177-4

PMID: 31506435

PMCID: PMC6736963

DOI: 10.1371/journal.pcbi.1012173

PMID: 38900779

PMCID: PMC11189206

Documentation

Other

https://biobb-wf-flexserv.readthedocs.io/en/latest/index.html

Read The Docs workflow documentation

Downloads

Source code
Version: 1.0
https://github.com/bioexcel/biobb_wf_flexserv

Links

Other

https://mmb.irbbarcelona.org/biobb/workflows#macromolecular-coarse-grained-flexibility

(Main web site (BioBB Workflows))

Repository

https://github.com/bioexcel/biobb_wf_flexserv

(Source Code in GitHub)

Other

https://biobb-wf-flexserv.readthedocs.io/en/latest/index.html

(Tutorial in Read The Docs)

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