New CompBioMed Publication on PlayMolecule ProteinPrepare

CompBioMed Partner Universitat Pompeu Fabra (UPF) have published a paper in Journal of Chemical Information and Modeling on protein preparation for molecular dynamics simulations. This paper is available now from the Journal website ...
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Free Supercomputing MOOC from EPCC, SURFsara and PRACE

The next run of the free Supercomputing MOOC from EPCC, SURFsara and PRACE is now open for registration. The 5 week course itself starts on August 28th. "This course is designed for anyone interested in leading-edge computing technology, supercomputers or the role that computer simulation takes in modern science and ...
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First meeting of VPH Institute – UK Chapter

Fri 15 September 11.00 am — 3.00 pm Design Studio (D05) Level D, Pam Liversidge Building, Sheffield S1 3JD Insigneo is hosting the first meeting of all researchers, industrial experts, clinicians, regulators and funders interested in the Virtual Physiological Human (VPH), in silicomedicine, and related topics. The aim is to ...
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Computational Biomedicine – SuperMUC Allocation

A number of CompBioMed partners have been awarded a two year project at Leibniz Supercomputing Centre with an allocation on SuperMUC of 28 million core hours over two years, effective immediately. The project is led by Prof Dr Dieter Kranzmüller, Director of LRZ and Professor of Computer Science at Ludwig ...
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Article in the GCS 10th Anniversary Brochure

Coordinator of CompBioMed, Prof Peter V Coveney, conducted a workshop at the Leibniz Supercomputing Centre (LRZ) on the SuperMUC supercomputer in the run-up to the start of the CompBioMed Centre of Excellence. In the work, the group investigated the way a breast cancer drug interacted with various proteins, paving the ...
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7th International Women in HPC workshop

7th International Women in HPC workshop Sunday November 12th 2017 — Denver, CO, USA Call for posters and participation https://www.womeninhpc.org/whpc-sc17/workshop/ Women in HPC will once again attend the Supercomputing conference to discuss diversity and inclusivity topics. Activities will bring together women from across the international HPC community, provide opportunities to ...
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Peter Coveney at ISC 2017

Peter Coveney gave a talk on "Rapid, Accurate & Reliable Binding Affinity Calculations for Drug Discovery" at the "High Performance Computing in Life Sciences" session at ISC 2017 on June 20th ...
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Peter Coveney at IWSG 2017

Peter Coveney gave a keynote talk at IWSG 2017 on Exploiting International e-Infrastructures for Large Scale Computational Science, with a focus on medical simulation scenarios ...
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Free Energy Workshop Poster Prize Winners

Congratulations to Fiona Naughton, Matteo Aldeghi, and Wojciech Kopec, who won first, second, and third prize respectively for their superb posters at the CompBioMed Event "Free Energy Calculations from Molecular Simulation: Applications in Life and Medical Sciences" on May 31st 2017. Fiona's poster covered interactions of pleckstrin homology domains with ...
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New CompBioMed Publication on GPCR–ligand interactions

CompBioMed has published a paper on rapid and accurate assessment of GPCR–ligand interactions using the fragment molecular orbital-based density-functional tight-binding method. This paper is available now from the Journal of Computational Chemistry here ...
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