Institute for Advanced Simulation (IAS)
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Institute for Advanced Simulation (IAS)
Jülich, 30 April 2020 (Update):
The following projects have applied for JSC's offer of computing time and support on its HPC facilities and started their work.
PI, Affiliation | Project title |
---|---|
Dr. Maria Vittoria Barbarossa, University of Heidelberg | Systemic epidemiological analysis of the COVID-19 epidemic |
Prof. Paolo Carloni, FZJ / IAS-5 | Targeting 2019-nCoV proteins: a massively parallel approach in Jülich , in close collaboration with CINECA. |
Prof. Birgit Strodel, FZJ / IBI-7 | COVID-19: Search for competitive inhibitors of the COVID-19 main protease enzyme |
Prof. Erich Wanker, Max-Delbrück-Centrum | High-throughput small molecule docking to SARS-CoV-2 proteins |
Prof. Gordon Pipa, University of Osnabrück | Modelling Covid 19 spatio-temporal dynamics Press release of 23 Sept 2020: New Model for District-Based Coronavirus Forecasts |
Dr. Alexander Viguerie, University of Pavia, Italy | Simulation of spatio-temporal Covid-19 spread using a coupled diffusion-SEIR model |
Prof. Valentin Gordeliy, FZJ / IBI-7 | Discovery of inhibitors of SARS-CoV-2 protein E through modeling and virtual ligand screening |
Prof. Holger Gohlke, FZJ / JSC | Targeting the interaction of the SARS-Cov2/ACE2 complex with small molecule inhibitors |
Prof. Adolfo Poma, Polish Academy of Sciences, Poland | Exploring large conformational changes of the SARS-CoV-2 Spike protein in complex with ACE2 receptor |
Prof. Alexander Schug, FZJ / JSC | Computational investigation of the inhibitory action of a hexapeptide on the viral entry of the Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2) |
Dr. Rafael J. Villanueva, Universitat Politècnica de Valéncia, Spain | Calibration of the parameters of a network model for studying the transmission dynamics of the SARS-CoV-2 |
Dr. Jenia Jitsev, FZJ /JSC | Towards an Effective and Efficient Deep Learning Model for COVID-19 Patterns Detection in X-ray Images |