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Effect of two activators on the gating of a K2P channel.
Mendez-Otalvaro E, Kopec W, de Groot BL. Mendez-Otalvaro E, et al. Among authors: de groot bl. Biophys J. 2024 Oct 1;123(19):3408-3420. doi: 10.1016/j.bpj.2024.08.006. Epub 2024 Aug 19. Biophys J. 2024. PMID: 39161093 Free PMC article.
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.
208 results