Webinar: “BioExcel and OpenPHACTS: Building pharmacological workflow blocks for virtual screening” (2017-07-17)


Discuss this webinar View slides View webinar Workflows Interest Group

BioExcel’s webinar series continues with Nick Lynch, who will introduce Open PHACTS, an integrated pharmacological data platform and BioExcel strategic partner.

Nick is joined by Stian Soiland-Reyes and Adam Hospital who will explain in details how BioExcel is building a Virtual Screening workflow combining Open PHACTS with the BioExcel-supported tools for biomolecular simulation and modelling.

The Open PHACTS Discovery Platform brings together vast amounts of linked data in a single integrated, open infrastructure providing a platform for researchers to access and query publicly-available pharmacological data. The platform integrates major open data sources (e.g. ChEMBL, UniProt, WikiPathways, SureChEMBL, DrugBank, Disgenet and their associated Chemistry) on compounds, patents, diseases, targets and pathways; linked by identifiers, semantic and structural chemistry information, re-exposed as a collection of unified web APIs, workflow components plus tool integrations. The platform is maintained by the Open PHACTS Foundation, which is supported by members from biopharmaceutical industry and Research Organisations with an active developer and user community.

BioExcel is an European Centre of Excellence that support academia and industry in the use of high-end computing in biomolecular research. Part of BioExcel’s roadmap for workflows is to develop Workflow Blocks for biomolecular simulation and modelling, which includes Open PHACTS as a data service. Such blocks, including the Open PHACTS platform, can be deployed in private or public cloud environments, and used to build portable pipelines. BioExcel is currently developing a series of pilot use cases, including a Virtual Screening workflow using Open PHACTS.

In this webinar, Nick Lynch (Open PHACTS Foundation), Stian Soiland-Reyes (The University of Manchester) and Adam Hospital (IRB Barcelona) will present the Open PHACTS platform and how it will be used with BioExcel workflow blocks to build a virtual screening pipeline.

BioExcel webinars include an audience Q&A session during which attendees can ask questions and make suggestions.

Register for the webinar

Please register at https://attendee.gotowebinar.com/register/295609582301212161
You will then receive an email with details of how you can connect to the webinar.

Title: BioExcel and OpenPHACTS: Building pharmacological workflow blocks for virtual screening
Date: Monday 17th July 2017 (2017-07-17)
Time: 15:00 BST / 16:00 CEST / 14:00 UTC

About Nick Lynch

Nick Lynch (orcid.org/0000-0002-8997-5298) is the CTO of Open PHACTS, a semantic linked data and services platform for pre-clinical data. Nick has over 20 years experience in Informatics, he was at AstraZeneca for 13 years leading teams in R&D Informatics. Nick established Curlew Research in 2014, working on a number of projects with Pharma/Biotech and Life Science informatics companies. He is also Investment Manager for Pistoia Alliance, supporting their projects and strategy. Nick serves on BioExcel’s Scientific Advisory Board.

About Stian Soiland-Reyes

Stian Soiland-Reyes (orcid.org/0000-0001-9842-9718) is from the The University of Manchester‘s eScience Lab, where he focus on workflows, reproducibility, containerisation and community building; he is one of the developers of the workflow system Apache Taverna and collaborate with the Common Workflow Language project and the pharmacological data warehouse Open PHACTS.

About Adam Hospital

Adam Hospital (orcid.org/0000-0002-8291-8071) is from IRB Barcelona, where he is leading the Portable Environments efforts. He is interested in structural bioinformatics, and using High Performance and High Throughput Computing (HPC, HTC) to help on these tasks.

Leave a Reply