Workshop: Computer Simulation and Theory of Macromolecules, Hünfeld 2016

27 May, 2016 – 28 May, 2016 @ 09:00 – 17:00 – Place: Hünfeld, Germany Date: May 27-28, 2016 In the post-genomic era with its exponential growth of known protein structures and with an increasing amount of experimental data on biomolecular dynamics and function particularly in the single molecule field, the demand for computer simulation studies at the atomic level explodes. This informal and interdisciplinary meeting for […] [...]

RNA: Structure, Dynamics and Function – Workshop

24 May, 2016 – 27 May, 2016 @ 09:00 – 17:00 – Please join us for this workshop, at which BioExcel partner IRB Barcelona will present. The aim of the workshop is to bring together a number of experts in RNA structural, dynamical, and functional properties. We invited a mixture of practitioners of molecular dynamics, structural bioinformatics, and experimental probing methods such as X-ray and NMR, and […] [...]

Workshop: GROMACS on highly parallel and heterogeneous platforms

19 May, 2016 – 20 May, 2016 @ All Day – Update: stream link, further information and schedule are here: 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 […] [...]

Tool Registry Hackathon

18 May, 2016 – 20 May, 2016 @ 09:00 – 17:00 – A hackathon bringing together developers from the ELIXIR Tools & Data Services Registry, Galaxy, Taverna, Arvados, CWL, ReGaTE and EDAM ontology, with Galaxy instance providers from ELIXIR and beyond, to promote collaboration and technical developments.BioExcel developers will be also participating in the hackathon. Register: Tentative program: Tool registry: [...]

ExTASY Tutorial: Tools for Advanced Sampling of Macromolecular Systems

16 May, 2016 – 17 May, 2016 @ 09:00 – 17:00 – Please join us on this two-day tutorial course to be held at EPCC in Edinburgh on the 16th and 17th of May 2016. “This tutorial will provides an introduction to Advanced Sampling methods for macromolecules based on the Locally Scaled Diffusion Map (LSDMap) and Complementary Coordinates (CoCo) methods. Participants will have the opportunity to learn […] [...]

PRACE Spring School 2016 and E-CAM Tutorial on Molecular and Atomic Modelling

16 May, 2016 – 20 May, 2016 @ 09:00 – 17:00 – The PRACE Spring School 2016 and E-CAM Tutorial will take place in Dublin, Ireland, from 16-20 May 2016. Erik Lindahl from BioExcel partner KTH, will present a talk and tutorial at the school. Registration deadline 3rd May. Participants are expected to have some experience with Linux systems and programming in C/C++/Fortran. Erik will give a talk […] [...]