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Lessons learned from urgent computing in Europe: Tackling the COVID-19 pandemic.
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.
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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.
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Computational assessment of the entropy of solvation of small-sized hydrophobic entities.
Mahajan R, Kranzlmüller D, Volkert J, Hansmann UH, Höfinger S.
Mahajan R, et al. Among authors: kranzlmuller d.
Phys Chem Chem Phys. 2006 Dec 21;8(47):5515-21. doi: 10.1039/b611200e. Epub 2006 Nov 7.
Phys Chem Chem Phys. 2006.
PMID: 17136266
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New trends in the virtualization of hospitals--tools for global e-Health.
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;121:168-75.
Stud Health Technol Inform. 2006.
PMID: 17095814
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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
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