BioExcel CoE Newsletter #2

Dear reader,

You are receiving this mail either because you subscribed for the BioExcel's newsletter through the website or you attended one of our webinar events. Since we are going to organize more of the latter, we thought you'd like to know about them. You can, of course, always unsubscribe (link is at the bottom) but we hope you'd like to stay in touch with us.

So what's new? The center is picking up speed - our educational webinar series started and the first two attracted quite a big audience of hundreds of attendees. We launched discussion forums at http://Ask.Bioexcel.eu, which will have a dedicated spot for the upcoming interest groups. There will be more about them in the next newsletter. And there are a couple more jobs on offer.

Check out the selected posts below and get in touch with us!

Rossen Apostolov
BioExcel Project Manager

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BioExcel Educational Webinar Series

We launched the series at the end of April with Alexandre Bonvin talking about the latest HADDOCK version and how you can put it to work for integrative modelling. A couple of weeks later Mark Abraham addressed the very important topic of squeezing every cycle out of your hardware with GROMACS. Developers are making exciting progress with automation, but finding the optimal balance for a particular embeded-solvated-multi-protein-membrane system on a multi-node HPC machine with accelerators can be a challenge. A bit of theory though can easily give you extra power. All talks are recorded and available on our youtube channel - watch and share!

Webinar: Integrative modelling of biomolecular complexes with HADDOCK

Webinar: Integrative modelling of biomolecular complexes with HADDOCK

  BioExcel CoE is launching new series of educational webinars for computational biomolecular research. The series will cover broad topics related to the latest development of major software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for novel users and much more. The webinars include an …

Read more.

Webinar: Performance Tuning and Optimization of GROMACS

Webinar: Performance Tuning and Optimization of GROMACS

This is the second webinar in the new educational series on computational methods and applications for biomolecular research. The series cover broad topics related to the latest development of major software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for novel users and much more. The …

Read more.

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Comping up next in the webinar series

If you are very new to MD simulations (or you know someone who is), make sure to see Adam Hospital's webinar next week. As always there will be a Q&A session at the end!

Webinar: Atomistic Molecular Dynamics Setup with MDWeb

Webinar: Atomistic Molecular Dynamics Setup with MDWeb

Join us on Wednesday 25th May for the third webinar in BioExcel's webinar series on  computational methods and applications for biomolecular research. The series cover broad topics related to the latest development of major software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for novel users and much more. The …

Read more.

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Training events

Plenty of courses and workshops to join: http://bioexcel.eu/events! Why not go to those in Southern Europe for a great opportunity to enjoy the Mediterranean while sharpening your simulation skills. In Spain we have http://bioexcel.eu/events/course-integrative-modelling-of-biomolecular-interactions/ , in Italy http://bioexcel.eu/events/school-on-molecular-modelling-for-life-sciences but if you'd like be a bit more up north in Germany we have http://bioexcel.eu/events/workshop-computer-simulation-and-theory-of-macromolecules-hunfeld-2016/

(Hint: subscribing to the events RSS feed will notify you right away: http://bioexcel.eu/events/feed)

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GROMACS on highly parallel and heterogeneous systems

Core developers gather in Gottingen for an exciting workshop! Info, chat channel and live streaming below!

Workshop: GROMACS on highly parallel and heterogeneous platforms

Workshop: GROMACS on highly parallel and heterogeneous platforms

Update: stream link, further information and schedule are here: goo.gl/IjRCW9 This workshop brings together most of the core development team of GROMACS. Latest and upcoming developments of the code will be discussed. The program includes: Gromacs Directions Electrostatic potential calculation Fast Multipole methods (Andreas Beckmann, Ivo Kabadshow, Thomas Ullmann) Regular FMM, Berk Hess PME improvements Fast multipole methods, FMM combined …

Read more.

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More jobs!

Two more jobs for you, both in EMBL:

• http://bioexcel.eu/job-software-developer/

• http://bioexcel.eu/job-micro-organisms-project-leader

If those don't suit - keep an eye at http://bioexcel.eu/category/jobs (or subscribe to the RSS feed, it's easier ;)

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Follow us / get in touch!

 

It's all here: http://bioexcel.eu/contact

Notably, you should know about Ask.BioExcel.eu - bookmark that one :)

Twitter, G+, LinkedIn... we're there, click above!

Code repositories - yes, it's github wthere we'll keep all new code: https://github.com/bioexcel

Chat channel - drop by our gitter channel for an informal chat: https://gitter.im/bioexcel/general

Video channel - here are the recordings of the webinars!