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The full spectrum of OCT1 (SLC22A1) mutations bridges transporter biophysics to drug pharmacogenomics.
Yee SW, Macdonald C, Mitrovic D, Zhou X, Koleske ML, Yang J, Silva DB, Grimes PR, Trinidad D, More SS, Kachuri L, Witte JS, Delemotte L, Giacomini KM, Coyote-Maestas W. Yee SW, et al. Among authors: delemotte l. bioRxiv [Preprint]. 2023 Jun 7:2023.06.06.543963. doi: 10.1101/2023.06.06.543963. bioRxiv. 2023. Update in: Mol Cell. 2024 May 16;84(10):1932-1947.e10. doi: 10.1016/j.molcel.2024.04.008 PMID: 37333090 Free PMC article. Updated. Preprint.
The full spectrum of SLC22 OCT1 mutations illuminates the bridge between drug transporter biophysics and pharmacogenomics.
Yee SW, Macdonald CB, Mitrovic D, Zhou X, Koleske ML, Yang J, Buitrago Silva D, Rockefeller Grimes P, Trinidad DD, More SS, Kachuri L, Witte JS, Delemotte L, Giacomini KM, Coyote-Maestas W. Yee SW, et al. Among authors: delemotte l. Mol Cell. 2024 May 16;84(10):1932-1947.e10. doi: 10.1016/j.molcel.2024.04.008. Epub 2024 May 3. Mol Cell. 2024. PMID: 38703769
MDverse: Shedding Light on the Dark Matter of Molecular Dynamics Simulations.
Tiemann JKS, Szczuka M, Bouarroudj L, Oussaren M, Garcia S, Howard RJ, Delemotte L, Lindahl E, Baaden M, Lindorff-Larsen K, Chavent M, Poulain P. Tiemann JKS, et al. Among authors: delemotte l. bioRxiv [Preprint]. 2024 May 3:2023.05.02.538537. doi: 10.1101/2023.05.02.538537. bioRxiv. 2024. Update in: Elife. 2024 Aug 30;12:RP90061. doi: 10.7554/eLife.90061 PMID: 37205542 Free PMC article. Updated. Preprint.
Design of Drug Efficacy Guided by Free Energy Simulations of the β2 -Adrenoceptor.
Panel N, Vo DD, Kahlous NA, Hübner H, Tiedt S, Matricon P, Pacalon J, Fleetwood O, Kampen S, Luttens A, Delemotte L, Kihlberg J, Gmeiner P, Carlsson J. Panel N, et al. Among authors: delemotte l. Angew Chem Int Ed Engl. 2023 May 22;62(22):e202218959. doi: 10.1002/anie.202218959. Epub 2023 Apr 20. Angew Chem Int Ed Engl. 2023. PMID: 36914577
MDverse, shedding light on the dark matter of molecular dynamics simulations.
Tiemann JKS, Szczuka M, Bouarroudj L, Oussaren M, Garcia S, Howard RJ, Delemotte L, Lindahl E, Baaden M, Lindorff-Larsen K, Chavent M, Poulain P. Tiemann JKS, et al. Among authors: delemotte l. Elife. 2024 Aug 30;12:RP90061. doi: 10.7554/eLife.90061. Elife. 2024. PMID: 39212001 Free PMC article.
77 results