Webinars which provide the basic knowledge needed for understanding important topics in the biomolecular modelling and simulations field.
Overview Simulation of conformational transitions in bio-molecules is often problematic because transitions occur over timescales that are longer than what can be simulated. If one has a good reaction coordinate, transitions can be accelerated by up to several orders of magnitude by applying a biasing potential. In this webinar we will show how the Accelerated […]Read More
BioExcel’s webinar series continue with a presentation by Carsten Kutzner Register Abstract We identify hardware that is optimal to produce molecular dynamics trajectories on Linux compute clusters with the GROMACS 2018 simulation package. Therefore, we benchmark the GROMACS performance on a diverse set of compute nodes and relate it to the costs of the nodes, […]Read More
Discuss this webinar View slides View webinar Workflows Interest Group BioExcel’s webinar series continues with Michael Crusoe, CWL Project co-founder & Community Engineer, who will introduce the Common Workflow Language (CWL) project. In July 2016 the CWL team released standards that enable the portable, interoperable, and executable description of command line data analysis tools and workflow made from those tools. […]Read More
Discuss this webinar View slides on SlideShare Join Interest Group BioExcel’s webinar series continues with Steven Newhouse from EMBL-EBI, who will discuss Cloud versus HTC (High Throughput Computing) resources, what is the difference and when you should use which. What type and volume of resources are available and where? Should you apply as an individual or as part of […]Read More
Discuss this webinar View slides on SlideShare Join Interest Group BioExcel’s webinar series continued on 8th March with Lee Larcombe from ELIXIR-UK and the University of Edinburgh, who took us through the benefits and challenges of using local compute resources. Starting from some things to consider when resourcing your research, to what can feasibly be done on a […]Read More
Discuss this webinar View slides on SlideShare Join Interest Group BioExcel’s webinar series on computational methods and applications for biomolecular research continued on 8th February. Matthew Conroy, a scientific curator at EMBL-EBI presented his talk, “Assessing structure quality in the PDB Archive”. Models in the PDB archive are an interpretation of the experimental data. This webinar looked at […]Read More