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Lessons learned from urgent computing in Europe: Tackling the COVID-19 pandemic.
López N, Del Debbio L, Baaden M, Praprotnik M, Grigori L, Simões C, Bogaerts S, Berberich F, Lippert T, Ignatius J, Lavocat P, Pineda O, Giuffreda MG, Girona S, Kranzlmüller D, Resch MM, Scipione G, Schulthess T. López N, et al. Among authors: kranzlmuller d. Proc Natl Acad Sci U S A. 2021 Nov 16;118(46):e2024891118. doi: 10.1073/pnas.2024891118. Proc Natl Acad Sci U S A. 2021. PMID: 34772803 Free PMC article.
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers.
Bhati AP, Wan S, Alfè D, Clyde AR, Bode M, Tan L, Titov M, Merzky A, Turilli M, Jha S, Highfield RR, Rocchia W, Scafuri N, Succi S, Kranzlmüller D, Mathias G, Wifling D, Donon Y, Di Meglio A, Vallecorsa S, Ma H, Trifan A, Ramanathan A, Brettin T, Partin A, Xia F, Duan X, Stevens R, Coveney PV. Bhati AP, et al. Among authors: kranzlmuller d. Interface Focus. 2021 Oct 12;11(6):20210018. doi: 10.1098/rsfs.2021.0018. eCollection 2021 Dec 6. Interface Focus. 2021. PMID: 34956592 Free PMC article.
Towards blood flow in the virtual human: efficient self-coupling of HemeLB.
McCullough JWS, Richardson RA, Patronis A, Halver R, Marshall R, Ruefenacht M, Wylie BJN, Odaker T, Wiedemann M, Lloyd B, Neufeld E, Sutmann G, Skjellum A, Kranzlmüller D, Coveney PV. McCullough JWS, et al. Among authors: kranzlmuller d. Interface Focus. 2021 Feb 6;11(1):20190119. doi: 10.1098/rsfs.2019.0119. Epub 2020 Dec 11. Interface Focus. 2021. PMID: 33335704 Free PMC article.
Virtual hospital and digital medicine--why is the GRID needed?
Graschew G, Roelofs TA, Rakowsky S, Schlag PM, Heinzlreiter P, Kranzlmüller D, Volkert J. Graschew G, et al. Among authors: kranzlmuller d. Stud Health Technol Inform. 2006;120:295-304. Stud Health Technol Inform. 2006. PMID: 16823147