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Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, Izadi S, Kasavajhala K, Kaymak MC, King E, Kurtzman T, Lee TS, Li P, Liu J, Luchko T, Luo R, Manathunga M, Machado MR, Nguyen HM, O'Hearn KA, Onufriev AV, Pan F, Pantano S, Qi R, Rahnamoun A, Risheh A, Schott-Verdugo S, Shajan A, Swails J, Wang J, Wei H, Wu X, Wu Y, Zhang S, Zhao S, Zhu Q, Cheatham TE 3rd, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM Jr. Case DA, et al. J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8. J Chem Inf Model. 2023. PMID: 37805934 Free PMC article.
Enzyme transition states from theory and experiment.
Harris ME, Piccirilli JA, York DM. Harris ME, et al. Biochim Biophys Acta. 2015 Nov;1854(11):1727-8. doi: 10.1016/j.bbapap.2015.08.006. Epub 2015 Aug 22. Biochim Biophys Acta. 2015. PMID: 26302659 No abstract available.
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis.
Weissman B, Ekesan Ş, Lin HC, Gardezi S, Li NS, Giese TJ, McCarthy E, Harris ME, York DM, Piccirilli JA. Weissman B, et al. J Am Chem Soc. 2023 Feb 8;145(5):2830-2839. doi: 10.1021/jacs.2c10079. Epub 2023 Jan 27. J Am Chem Soc. 2023. PMID: 36706353 Free PMC article.
Mapping L1 ligase ribozyme conformational switch.
Giambaşu GM, Lee TS, Scott WG, York DM. Giambaşu GM, et al. J Mol Biol. 2012 Oct 12;423(1):106-22. doi: 10.1016/j.jmb.2012.06.035. Epub 2012 Jul 3. J Mol Biol. 2012. PMID: 22771572 Free PMC article.
97 results