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Wilson CJ, Karttunen M, de Groot BL, Gapsys V.Wilson CJ, et al. Among authors: gapsys v.J Chem Theory Comput. 2023 Nov 14;19(21):7833-7845. doi: 10.1021/acs.jctc.3c00721. Epub 2023 Oct 11.J Chem Theory Comput. 2023.PMID: 37820376Free PMC article.
Gapsys V, de Groot BL.Gapsys V, et al.J Chem Theory Comput. 2017 Dec 12;13(12):6275-6289. doi: 10.1021/acs.jctc.7b00849. Epub 2017 Nov 29.J Chem Theory Comput. 2017.PMID: 29125747Free article.
Bastys T, Gapsys V, Doncheva NT, Kaiser R, de Groot BL, Kalinina OV.Bastys T, et al. Among authors: gapsys v.J Chem Theory Comput. 2018 Jul 10;14(7):3397-3408. doi: 10.1021/acs.jctc.7b01109. Epub 2018 Jun 21.J Chem Theory Comput. 2018.PMID: 29847122
Gapsys V, Pérez-Benito L, Aldeghi M, Seeliger D, van Vlijmen H, Tresadern G, de Groot BL.Gapsys V, et al.Chem Sci. 2019 Dec 2;11(4):1140-1152. doi: 10.1039/c9sc03754c.Chem Sci. 2019.PMID: 34084371Free PMC article.
Khalak Y, Tresadern G, Hahn DF, de Groot BL, Gapsys V.Khalak Y, et al. Among authors: gapsys v.J Chem Theory Comput. 2022 Oct 11;18(10):6259-6270. doi: 10.1021/acs.jctc.2c00752. Epub 2022 Sep 23.J Chem Theory Comput. 2022.PMID: 36148968Free PMC article.
Rauscher S, Gapsys V, Gajda MJ, Zweckstetter M, de Groot BL, Grubmüller H.Rauscher S, et al. Among authors: gapsys v.J Chem Theory Comput. 2015 Nov 10;11(11):5513-24. doi: 10.1021/acs.jctc.5b00736. Epub 2015 Oct 22.J Chem Theory Comput. 2015.PMID: 26574339
Gapsys V, Seeliger D, de Groot BL.Gapsys V, et al.J Chem Theory Comput. 2012 Jul 10;8(7):2373-82. doi: 10.1021/ct300220p. Epub 2012 Jun 6.J Chem Theory Comput. 2012.PMID: 26588970
Gapsys V, de Groot BL.Gapsys V, et al.J Chem Inf Model. 2017 Feb 27;57(2):109-114. doi: 10.1021/acs.jcim.6b00498. Epub 2017 Feb 16.J Chem Inf Model. 2017.PMID: 28181802
Aldeghi M, Gapsys V, de Groot BL.Aldeghi M, et al. Among authors: gapsys v.ACS Cent Sci. 2018 Dec 26;4(12):1708-1718. doi: 10.1021/acscentsci.8b00717. Epub 2018 Dec 13.ACS Cent Sci. 2018.PMID: 30648154Free PMC article.