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BioExcel CoE Newsletter #12

Dear reader,

We have prepared an exciting line up of events and webinars to help with your research work.

Webinars

This month we have two webinars coming. "Adaptive resolution methods in soft matter simulations" on 22nd Feb. will be of interest for those of you working on hybrid methods techniques, while the "CWLEXEC: A new open source tool to run CWL workflows on LSF" on the 28th Feb. is a continuation of our previous "Introduction to Common Workflow Language" webinar.

Summer school

In June 2018 BioExcel is hosting a week long Summer School on Biomolecular Simulations in Sardinia, Italy, full of lectures and hands-on sessions on
  • Molecular Dynamics simulations
  • Biomolecular Docking
  • QM/MM
  • Free energy calculations
  • Advanced sampling methods (metadynamics)
Places are limited, so if you are interested, make sure you apply before end of March! Accommodation, food and airport shuttle are included in the registration fee. The Summer School is also an excellent chance to get in touch with the lead BioExcel developers and have your say on future priorities. We are looking forward to seeing you in Sardinia!

News and events

Another great event that you might want to visit is the yearly meeting in Hünfeld on "Computer Simulation and Theory of Macromolecules". The meeting offers an informal and lively platform for discussions and establishment of future collaborations.

The GROMACS dev team released two important versions of your favorite MD code. The official 2018 release was out already in January, and last week we had the 2016.5 bug fix update. Please ask your admin to install the updates!

And if you are looking for an exciting post-doctoral opportunity, the HADDOCK developer team is looking for skilled researcher.

Rossen Apostolov
BioExcel Manager

* 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 organizing regularly 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.

Webinar: Adaptive resolution methods in soft matter simulations (2018-02-22)

Webinar: Adaptive resolution methods in soft matter simulations (2018-02-22)
BioExcel’s webinar series continue with a special discussion on Adaptive resolution methods in soft matter simulations Register Abstract One of the most challenging aspects in the computational study of soft matter is its intrinsic multi-scale nature, that is, the fact that many relevant processes take place on a broad range of length and time scales. Their interplay often limit, …

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Webinar: CWLEXEC: A new open source tool to run CWL workflows on LSF (2018-02-28)

Webinar: CWLEXEC: A new open source tool to run CWL workflows on LSF (2018-02-28)
BioExcel’s webinar series continue with a special discussion on CWLEXEC: A new open source tool to run CWL workflows on LSF Register Abstract The Common Workflow Language (CWL) is a community-led specification for describing analysis workflows and tools in a way that makes them portable and scalable across a variety of software and hardware environments, from workstations to cluster, cloud, …

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BioExcel Summer School on Biomolecular Simulations 2018

BioExcel Summer School on Biomolecular Simulations 2018
Date: Sunday 17th June (arrival only) - Friday 22nd June 2018 Venue: Science and Technology Park of Sardinia, Pula, Italy Application opens: 14th December 2017 Application deadline: 30th March 2018 Notification date: 13th April 2018 Participation: Open application with selection Contact: Vera Matser Registration fee: £265 (includes accommodation, all meals and transport to/from the airport & course venue) Overview  The summer school will include lectures …

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Hünfeld 2018: Computer Simulation and Theory of Macromolecules

Hünfeld 2018: Computer Simulation and Theory of Macromolecules
The exponential increase of known protein structures and the wealth of experimental data on biomolecular dynamics and function particularly in the single molecule field creates a rapidly growing demand for computer simulation studies at the atomic level. This informal and interdisciplinary meeting for physicists, chemists, and biologists using and/or developing computer simulation techniques for the study of biological molecules aims …

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GROMACS 2018 official release

GROMACS 2018 official release
The official release of GROMACS 2018 is now available. What new things can you expect? Please see the release notes highlights at http://manual.gromacs.org/documentation/2018/release-notes/index.html. You can find the code, manual, release notes, installation instructions and test suite at the links below. Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.tar.gz Documentation: http://manual.gromacs.org/documentation/2018/index.html (includes install guide, user guide, reference manual, and release notes) Test Suite: http://gerrit.gromacs.org/download/regressiontests-2018.tar.gz Happy simulating!

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Job: Post-doctoral researcher with the HADDOCK team

Job: Post-doctoral researcher with the HADDOCK team
The computational structural biology group of Prof. Alexandre Bonvin at Utrecht University has an opening for a post-doctoral researcher (1.0 FTE). The candidate will work in the context of the European Open Science Cloud Hub (EOSC-Hub) project, a 30 million EU e-infrastructure project providing a variety of compute services to the scientific community. In the context of this project, the …

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