BioExcel, the leading European Centre of Excellence for computational biomolecular research, aims to support Life Science academic and industrial researchers in the effective use of HPC biomolecular software and continues BioExcel’s webinar series with its top experts in biomolecular modelling and simulations tools. Welcome!

Webinar: BioBB-Wfs and BioBB-API

integrated web-based platform and programmatic interface for biomolecular simulations workflows using the BioExcel Building Blocks library.

Abstract

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:

BioExcel Building Blocks Workflows (BioBB-Wfs), a web-based graphical user interface (GUI) offering access to a collection of transversal pre-configured biomolecular simulation workflows assembled with the BioBB library.

BioExcel Building Blocks REST-API (BioBB-API), a compilation of REST API endpoints offering programmatic access to the collection of biomolecular simulation tools included in the BioBB library. 

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). 

Presenters

• Adam Hospital (IRB & INB, Barcelona)

More information on the presenter in the presenters tab!

Registration

Please register below! You will then receive a confirmation email with details of how you can connect to the webinar.