Profile cover photo
Profile photo
BioExcel Center of Excellence for Computational Biomolecular Research
15 followers -
European funded Horizon 2020 Centre of Excellence Project
European funded Horizon 2020 Centre of Excellence Project

15 followers
About
Posts

Post has attachment
In 2013 the Nobel Prize in Chemistry was awarded jointly to three scientists who laid the foundations of computational biomolecular research – Martin Karplus, Michael Levitt and Arieh Warshel. The prize was awarded “for the development of multiscale…
Add a comment...

Post has attachment
@baam93 presents @UnityMol at the @BioExcelCoE Webinar series: "Immersive visual exploration of biomolecular systems in virtual reality - from static views to interactive dynamics"

BioExcel’s webinar series continue with a presentation by Marc Baaden, CNRS (Centre National de la Recherche Scientifique). Register Abstract For several years now, my team pursues the goal to study complex molecular assemblies through interactive…
Add a comment...

Post has attachment
@Caitlin_Bannan joins the @BioExcelCoE #webinar series to present the SMIRNOFF format by #OpenFF

BioExcel’s webinar series continue with a presentation by Caitlin C. Bannan Mobley Group, UC Irvine – Chemistry Department Register Abstract The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically parameterize…
Add a comment...

Post has attachment
3D-BioInfo Community Launch @ELIXIREurope

BioExcel is proud to support the launch of a new ELIXIR Community in Structural Bioinformatics – 3D-BioInfo. ELIXIR Communities enable the participation of communities of practice in different areas of the life sciences in the activities of ELIXIR (with…
Add a comment...

Post has attachment
#Webinar: Molecular simulation control and extension with gmxapi for #GROMACS. (2018-09-19)

BioExcel’s webinar series continue with a presentation by Eric Irrgang, Kasson Lab Register Abstract gmxapi is a framework and front-end designed to support new methods in molecular simulation. A Python package provides a scriptable interface to manage…
Add a comment...

Post has attachment
BioExcel sponsors the Workshop on Research Objects (RO2018) on 29 Oct 2018 as part of IEEE eScience 2018 in Amsterdam, Netherlands. Scholarly Communication has evolved significantly in recent years, with an increasing focus on Open Research, FAIR data…
Add a comment...

Post has attachment
#GROMACS 2018.3 is available!

The official release of GROMACS 2018.3 is available! This release fixes several issues found since 2018.2. We encourage all users of the 2018 series to update to 2018.3. Please see the link to the release notes below for more details. You can find the…
Add a comment...

Post has attachment
In a recent article we reported the performance of HADDOCK in the 2018 iteration of the Grand Challenge organised by the D3R consortium. Building on the findings of our participation in last year’s challenge, we significantly improved our pose prediction…
Add a comment...

Post has attachment
BioExcel Community Forum 2018, Amsterdam, 21-22 Nov. Save the date!

We will return to Amsterdam in 2018 for the 2nd BioExcel Community Forum on Wednesday 21st November to Thursday 22nd November. We plan to return to the Lloyd Hotel for a day-and-a-half of discussion and collaboration, the chance for BioExcel to share with…
Add a comment...

Post has attachment
#GROMACS 2018 developer / power-user workshop

The workshop is aimed at people willing to develop new tools for GROMACS, as well as at experienced users wanting to gain more in depth knowledge about the inner workings of the program. Questions driving the workshop: How can a highly optimized, parallel…
Add a comment...
Wait while more posts are being loaded