Published May 23, 2023 | Version v1
Presentation Open

BioExcel Webinar #69: BioBB-Wfs and BioBB-API, integrated web-based platform and programmatic interface for biomolecular simulations workflows using the BioExcel Building Blocks library


  • 1. IRB- Barcelona


BioExcel Building Blocks (BioBB) is a collection of interoperable building blocks built as portable wrappers on top of common biomolecular simulation tools (see BioExcel webinar #48). The interoperable building blocks can be easily joined together assembling complex computational biomolecular workflows, and can be shared thanks to its integration with the Conda Packaging system, ensuring reproducibility. 

This webinar will present two different ways of using the BioBB library/workflows remotely:

Molecular Dynamics setup, docking, structure modeling, free energy simulations and flexibility analyses are examples of functionalities included in the tools presented, all of them accessible through common web browsers and REST API calls, voiding the need for tools installation (remote access).



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Additional details


BioExcel-3 – BioExcel Centre of Excellence for Computational Biomolecular Research 101093290
European Commission