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Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations.
Dittrich J, Popara M, Kubiak J, Dimura M, Schepers B, Verma N, Schmitz B, Dollinger P, Kovacic F, Jaeger KE, Seidel CAM, Peulen TO, Gohlke H. Dittrich J, et al. Among authors: dimura m. J Chem Theory Comput. 2023 Apr 25;19(8):2389-2409. doi: 10.1021/acs.jctc.2c01090. Epub 2023 Apr 6. J Chem Theory Comput. 2023. PMID: 37023001
Automated and optimally FRET-assisted structural modeling.
Dimura M, Peulen TO, Sanabria H, Rodnin D, Hemmen K, Hanke CA, Seidel CAM, Gohlke H. Dimura M, et al. Nat Commun. 2020 Oct 26;11(1):5394. doi: 10.1038/s41467-020-19023-1. Nat Commun. 2020. PMID: 33106483 Free PMC article.
Resolving dynamics and function of transient states in single enzyme molecules.
Sanabria H, Rodnin D, Hemmen K, Peulen TO, Felekyan S, Fleissner MR, Dimura M, Koberling F, Kühnemuth R, Hubbell W, Gohlke H, Seidel CAM. Sanabria H, et al. Among authors: dimura m. Nat Commun. 2020 Mar 6;11(1):1231. doi: 10.1038/s41467-020-14886-w. Nat Commun. 2020. PMID: 32144241 Free PMC article.