Researcher
Ewald Pauwels
- Keywords:HPC
- Disciplines:Theoretical and computational chemistry not elsewhere classified, (Bio)molecular modelling and design, Modelling and simulation, Scientific computing not elsewhere classified
Affiliations
- ICT Infrastructure Office (Administrative office)
Member
From1 Dec 2012 → Today - Board of Governors/Executive Board (Administrative office)
Member
From1 Oct 2010 → 30 Nov 2012 - Department of Physics and astronomy (Department)
Member
From1 Jan 2000 → 30 Nov 2012
Infrastructure
1 - 1 of 1
Projects
1 - 3 of 3
- Centre of Excellence in exascale-oriented application co-design and delivery for multiscale simulationsFrom1 Jan 2023 → TodayFunding: International Cooperation and Mobility, Horizon Europe - Digital, Industry and Space
- EuroCC BelgiumFrom1 Sep 2020 → 31 Dec 2022Funding: H2020 - Focus Areas
- Ab-initio modeling of free-radical irradiated defects in molecular crystals: determination of EPR-related quantities and characterization of the radiation chemistry.From1 Oct 2007 → 30 Nov 2012Funding: FWO fellowships, BOF - Other initiatives
Publications
1 - 10 of 66
- Biological characterisation of somatropin-derived cryptic peptides(2019)
Authors: Liesa Tack, Nathalie Bracke, Frederick Verbeke, Evelien Wynendaele, Ewald Pauwels, Alex Maes, Christophe Van de Wiele, Mike Sathekge, Bart De Spiegeleer
Pages: 1019 - 1031 - Germline gain-of-function myeloid differentiation primary response gene-88 (MYD88) mutation in a child with severe arthritis(2018)
Authors: Keith A Sikora, Joshua R Bennett, Laurens Vyncke, Zuoming Deng, Wanxia Li Tsai, Ewald Pauwels, Gerlinde Layh-Schmitt, April Brundidge, Fatemeh Navid, Kristien JM Zaal, et al.
Pages: 1943 - 1947 - Solid-state structure of cyclic dipeptides : an X-ray and computational study of cis- and trans-diketo-piperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines(2017)
Authors: Milos Budesinsky, Ivana Cisarova, José Martins, Ewald Pauwels
Pages: 1179 - 1193 - Uncovering radiation chemistry in the solid state through periodic density-functional calculations: confrontation with experimental results and beyond(2014)
Authors: Ewald Pauwels, Anders Lund, Masaru Shiotani
Pages: 667 - 702 - Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics(2014)
Authors: Andy Van Yperen-De Deyne, Thierry De Meyer, Ewald Pauwels, An Ghysels, Karen De Clerck, Michel Waroquier, Veronique Van Speybroeck, Karen Hemelsoet
- Structural basis of the proinflammatory signaling complex mediated by TSLP(2014)
Authors: Kenneth Verstraete, Loes van Schie, Laurens Vyncke, Yehudi Bloch, Jan Tavernier, Ewald Pauwels, Savvas Savvides
Pages: 375 - U115 - Accurate prediction of ¹H chemical shifts in interstrand cross-linked DNA(2013)
Authors: Ewald Pauwels, Diederica Claeys, José Martins, Giuseppe Bifulco, Annemieke Madder
Pages: 3925 - 3938 - Human IL-34 and CSF-1 establish structurally similar extracellular assemblies with their common hematopoietic receptor(2013)
Authors: Jan Félix, Jonathan Elegheert, Irina Gutsche, Alexander Shkumatov, Yurong Wen, Nathalie Bracke, Erwin Pannecoucke, Isabel Vandenberghe, Bart Devreese, Dmitri Svergun, et al.
Pages: 528 - 539 - Structural specificity of alkoxy radical formation in crystalline carbohydrates(2013)
Authors: Siv G. Aalbergsjø, Ewald Pauwels, Hendrik De Cooman, Eli O. Hole, Einar Sagstuen
Pages: 9615 - 9619 - UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study(2012)
Authors: Thierry De Meyer, Karen Hemelsoet, Lien Van der Schueren, Ewald Pauwels, Karen De Clerck
Pages: P8 - P8