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Molecular basis for human aquaporin inhibition.
Huang P, Åbacka H, Wilson CJ, Wind ML, Rűtzler M, Hagström-Andersson A, Gourdon P, de Groot BL, Venskutonytė R, Lindkvist-Petersson K. Huang P, et al. Among authors: de groot bl. Proc Natl Acad Sci U S A. 2024 Feb 13;121(7):e2319682121. doi: 10.1073/pnas.2319682121. Epub 2024 Feb 6. Proc Natl Acad Sci U S A. 2024. PMID: 38319972 Free PMC article.
Guidelines for Free-Energy Calculations Involving Charge Changes.
Petrov D, Perthold JW, Oostenbrink C, de Groot BL, Gapsys V. Petrov D, et al. Among authors: de groot bl. J Chem Theory Comput. 2024 Jan 23;20(2):914-925. doi: 10.1021/acs.jctc.3c00757. Epub 2024 Jan 2. J Chem Theory Comput. 2024. PMID: 38164763 Free PMC article.
Accurately Predicting Protein pKa Values Using Nonequilibrium Alchemy.
Wilson CJ, Karttunen M, de Groot BL, Gapsys V. Wilson CJ, et al. Among authors: de groot bl. 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: 37820376 Free PMC article.
Diagnostic and societal impact of implementing the syncope guidelines of the European Society of Cardiology (SYNERGY study).
Ghariq M, van den Hout WB, Dekkers OM, Bootsma M, de Groot B, Groothuis JGJ, Harms MPM, Hemels MEW, Kaal ECA, Koomen EM, de Lange FJ, Peeters SYG, van Rossum IA, Rutten JHW, van Zwet EW, van Dijk JG, Thijs RD; SYNERGY Consortium. Ghariq M, et al. Among authors: de groot b. BMC Med. 2023 Sep 25;21(1):365. doi: 10.1186/s12916-023-03056-6. BMC Med. 2023. PMID: 37743496 Free PMC article.
335 results