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BioExcel’s webinar series on computational methods and applications for biomolecular research continues on 15th February. (Please note the revised date for this webinar, which is different from the date previously advertised).

In this webinar Gydo van Zundert, Mikael Trellet and Jörg Schaarschmidt from Utrecht University will together offer a presentation entitled “Robust solutions for cryoEM fitting and visualisation of interaction space”. The algorithms behind PowerFit and DisVis will be described by their developer, Gydo van Zundert, and the portal implementation will be presented by Mikael Trellet and Jörg Schaarschmidt. This presentation will include a live demo of the two portals.

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

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Title: Robust solutions for cryoEM fitting and visualisation of interaction space
Date: 15th February, 2017
Time: 15:00 GMT / 16:00 CET

Please note the revised date for this webinar, which is different from the date previously advertised. All other details remain unchanged, and the registration link remains valid.

Please register at https://attendee.gotowebinar.com/register/5511991808098477058. You will then receive an email with details of how you can connect to the webinar.

Abstract:
The team from Utrecht University who are working in the BioExcel project recently published two web portals, featuring two molecular modelling related programs: DisVis and PowerFit (dx.doi.org/10.1016/j.jmb.2016.11.032).
DisVis allows you to visualise and quantify the information content of distance restraints between macromolecular complexes. Based on a systematic search of the 6D conformational space, DisVis highlights false positives and putative incoherent restraints within your set of restraints (dx.doi.org/doi:10.1093/bioinformatics/btv333).

PowerFit automatically fits high-resolution atomic structures into cryo-EM density maps. To do so, it performs a full-exhaustive 6D cross-correlation search between the atomic structure and the density (dx.doi.org/doi:10.3934/biophy.2015.2.73). Output positions and rotations of the atomic structure, together with their high correlation values, are ranked and presented in a dynamic and interactive result page.

The two new web portals offer very friendly interfaces, circumventing the installation process of the two programs while retaining the capability of customising the submission. Beyond the simple interfaces, the web portals have also been designed to submit jobs to EGI HPC/HTC resources, making specifically use of the recent GPGPU clusters available. They are both in production and accessible at: http://milou.science.uu.nl/cgi/services/DISVIS/disvis/ and http://milou.science.uu.nl/cgi/services/POWERFIT/powerfit/

In the coming webinar, the algorithms behind each program will be described by their developer, Gydo van Zundert, and the portal implementation will be presented by Mikael Trellet and Jörg Schaarschmidt. This presentation will include a live demo of the two portals.

This work is supported by the West-Life (http://about.west-life.eu/), INDIGO-Datacloud (https://indigoprojects.eu/) and EGI-engage (http://www.egi.eu) European H2020 projects.

 

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