News

The use of existing pharmaceutical to treat COVID-19 has several potential benefits over the development of new drugs from the group up, not least that much shorter clinical trials would be needed and production on industrial scales has already been realised in many cases. Andrew Potterton, a PhD student at ...
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Here at CoronaBlog, where we will be providing regular news and updates on the research activities of the CompBioMed members, their collaborators, and the wider scientific community, we have established several other resources to provide information and aid in the COVID-19 research efforts: CompBioMed and Coronavirus provides an overview of the ...
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There are tens, perhaps hundreds of billions of compounds which can be utilised by the pharmaceutical industry in the development of new drugs.  An exhaustive exploration of more than a handful experimentally is impossible, modern computational techniques are however now beginning to lead the way.  Quantum Chemical calculations run on ...
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The ongoing coronavirus pandemic is having a profound impact on how we go about our day to day lives and is dominating world news and conversation (conducted from the recommended social distances, or preferably via video chat or social media).  Since the outbreak was identified in Hubei Province, China in ...
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CompBioMed is active in a vast international consortium across Europe and USA working on urgent coronavirus research. Heading CompBioMed’s efforts in this collaboration is Prof Peter Coveney and the Centre for Computational Science (CCS) at University College London (UCL), together with Leibniz Rechenzentrum (LRZ) and Gauss Centre for Supercomputing (GCS) ...
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A major effort is now underway to perform the first full scale 3-D high fidelity simulations of blood flow in the human vasculature. Led by Peter Coveney within his Centre for Computational Science (CCS) at University College London (UCL), this major, large scale team endeavour, involves colleagues and collaborators from ...
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The CompBioMed code HemeLB, developed at UCL was assessed by the POP Centre of Excellence to determine scaling ability of the code on SuperMUC-NG at LRZ. Peter Coveney and Jon McCullough at UCL worked with Brian Wylie at Jülich Supercomputing Centre to enable this assessment. This audit examined strong scaling ...
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Applications are invited for a Research Fellow to work with Professor Peter Coveney in the Department of Chemistry at University College London. The successful candidate will join a very active inter-disciplinary group in the Centre for Computational Science, and will work on the development and deployment of medical and clinical ...
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Drug Discovery with Schrödinger Suite This workshop will be an illustration of how Schrödinger’s modelling platform can be used in the context of present-day drug discovery programs. Using hands-on exercises and interactive presentations, we will guide you through an entire workflow with all steps ranging from target analysis and preparation ...
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Are you interested in developing research software and facilitating reproducible research through collaborations across the whole spectrum of University research areas? We are looking for a new member of the growing Research Software Engineering (RSE) team, who ideally has a keen interest in HPC and cloud computing. The candidate will ...
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