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  • Building pharmacological workflow blocks for virtual screening (BioExcel and OpenPHACTS)

    17 July 2017

    Building pharmacological workflow blocks for virtual screening (BioExcel and OpenPHACTS) https://tess.elixir-europe.org/events/building-pharmacological-workflow-blocks-for-virtual-screening BioExcel’s webinar series continues with Nick Lynch, who will introduce Open PHACTS, an integrated pharmacological data platform and [BioExcel strategic partner](http://bioexcel.eu/partnership-between-bioexcel-and-open-phacts-foundation/). 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](http://www.openphacts.org/) 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](http://bioexcel.eu/) 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](http://bioexcel.eu/research/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](http://bioexcel.eu/category/webinar/) include an audience Q&A session during which attendees can ask questions and make suggestions. Please [**register** at https://attendee.gotowebinar.com/register/295609582301212161](https://attendee.gotowebinar.com/register/295609582301212161) - you will then receive an email with details of how you can connect to the webinar. 2017-07-17 15:00:00 UTC 2017-07-17 16:00:00 UTC BioExcel Molecular modelling Workflows Pharmacology University of Manchester Stian Soiland-Reyes, The University of Manchester [] [] workshops_and_courses registration_of_interest []
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