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Biaryl sulfonamides as cisoid azosteres for photopharmacology.
Kobauri P, Szymanski W, Cao F, Thallmair S, Marrink SJ, Witte MD, Dekker FJ, Feringa BL. Kobauri P, et al. Among authors: marrink sj. Chem Commun (Camb). 2021 Apr 27;57(34):4126-4129. doi: 10.1039/d1cc00950h. Chem Commun (Camb). 2021. PMID: 33908493
Perspective: a stirring role for metabolism in cells.
Losa J, Leupold S, Alonso-Martinez D, Vainikka P, Thallmair S, Tych KM, Marrink SJ, Heinemann M. Losa J, et al. Among authors: marrink sj. Mol Syst Biol. 2022 Apr;18(4):e10822. doi: 10.15252/msb.202110822. Mol Syst Biol. 2022. PMID: 35362256 Free PMC article. Review.
Molecular dynamics simulations in photosynthesis.
Liguori N, Croce R, Marrink SJ, Thallmair S. Liguori N, et al. Among authors: marrink sj. Photosynth Res. 2020 May;144(2):273-295. doi: 10.1007/s11120-020-00741-y. Epub 2020 Apr 15. Photosynth Res. 2020. PMID: 32297102 Free PMC article. Review.
Pitfalls of the Martini Model.
Alessandri R, Souza PCT, Thallmair S, Melo MN, de Vries AH, Marrink SJ. Alessandri R, et al. Among authors: marrink sj. J Chem Theory Comput. 2019 Oct 8;15(10):5448-5460. doi: 10.1021/acs.jctc.9b00473. Epub 2019 Sep 24. J Chem Theory Comput. 2019. PMID: 31498621 Free PMC article.
Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field.
Khan HM, Souza PCT, Thallmair S, Barnoud J, de Vries AH, Marrink SJ, Reuter N. Khan HM, et al. Among authors: marrink sj. J Chem Theory Comput. 2020 Apr 14;16(4):2550-2560. doi: 10.1021/acs.jctc.9b01194. Epub 2020 Mar 9. J Chem Theory Comput. 2020. PMID: 32096995 Free PMC article.
276 results