From papers to RDF-based integration of physicochemical data and adverse outcome pathways for nanomaterials
van Rijn, Jeaphianne P. M., Martens, Marvin, Ammar, Ammar, Cimpan, Mihaela Roxana, Fessard, Valerie, Hoet, Peter, Jeliazkova, Nina, Murugadoss, Sivakumar, Vinković Vrček, Ivana, Willighagen, Egon L.
Published in Journal of cheminformatics (01.05.2024)
Published in Journal of cheminformatics (01.05.2024)
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Journal Article
QM/MM study of the taxadiene synthase mechanism
van Rijn, Jeaphianne P. M., Escorcia, Andrés M., Thiel, Walter
Published in Journal of computational chemistry (05.08.2019)
Published in Journal of computational chemistry (05.08.2019)
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Journal Article
Molecular dynamics study of taxadiene synthase catalysis
Escorcia, Andrés M., van Rijn, Jeaphianne P. M., Cheng, Gui‐Juan, Schrepfer, Patrick, Brück, Thomas B., Thiel, Walter
Published in Journal of computational chemistry (15.07.2018)
Published in Journal of computational chemistry (15.07.2018)
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Journal Article
First-Principles-Based Microkinetics Simulations of Synthesis Gas Conversion on a Stepped Rhodium Surface
Filot, Ivo A. W, Broos, Robin J. P, van Rijn, Jeaphianne P. M, van Heugten, Gerardus J. H. A, van Santen, Rutger A, Hensen, Emiel J. M
Published in ACS catalysis (04.09.2015)
Published in ACS catalysis (04.09.2015)
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Journal Article