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Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule?
Morzan UN, Díaz Mirón G, Grisanti L, González Lebrero MC, Kaminski Schierle GS, Hassanali A. Morzan UN, et al. Among authors: gonzalez lebrero mc. J Phys Chem B. 2022 Sep 29;126(38):7203-7211. doi: 10.1021/acs.jpcb.2c04280. Epub 2022 Sep 20. J Phys Chem B. 2022. PMID: 36128666 Review.
Role of Core Electrons in Quantum Dynamics Using TDDFT.
Foglia NO, Morzan UN, Estrin DA, Scherlis DA, Gonzalez Lebrero MC. Foglia NO, et al. Among authors: gonzalez lebrero mc. J Chem Theory Comput. 2017 Jan 10;13(1):77-85. doi: 10.1021/acs.jctc.6b00771. Epub 2016 Dec 13. J Chem Theory Comput. 2017. PMID: 27957843
Electron transport in real time from first-principles.
Morzan UN, Ramírez FF, González Lebrero MC, Scherlis DA. Morzan UN, et al. Among authors: gonzalez lebrero mc. J Chem Phys. 2017 Jan 28;146(4):044110. doi: 10.1063/1.4974095. J Chem Phys. 2017. PMID: 28147541
Spectroscopy in Complex Environments from QM-MM Simulations.
Morzan UN, Alonso de Armiño DJ, Foglia NO, Ramírez F, González Lebrero MC, Scherlis DA, Estrin DA. Morzan UN, et al. Among authors: gonzalez lebrero mc. Chem Rev. 2018 Apr 11;118(7):4071-4113. doi: 10.1021/acs.chemrev.8b00026. Epub 2018 Mar 21. Chem Rev. 2018. PMID: 29561145
Short hydrogen bonds enhance nonaromatic protein-related fluorescence.
Stephens AD, Qaisrani MN, Ruggiero MT, Díaz Mirón G, Morzan UN, González Lebrero MC, Jones STE, Poli E, Bond AD, Woodhams PJ, Kleist EM, Grisanti L, Gebauer R, Zeitler JA, Credgington D, Hassanali A, Kaminski Schierle GS. Stephens AD, et al. Among authors: gonzalez lebrero mc. Proc Natl Acad Sci U S A. 2021 May 25;118(21):e2020389118. doi: 10.1073/pnas.2020389118. Proc Natl Acad Sci U S A. 2021. PMID: 34001606 Free PMC article.
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter.
Mirón GD, Semelak JA, Grisanti L, Rodriguez A, Conti I, Stella M, Velusamy J, Seriani N, Došlić N, Rivalta I, Garavelli M, Estrin DA, Kaminski Schierle GS, González Lebrero MC, Hassanali A, Morzan UN. Mirón GD, et al. Among authors: gonzalez lebrero mc. Nat Commun. 2023 Nov 13;14(1):7325. doi: 10.1038/s41467-023-42874-3. Nat Commun. 2023. PMID: 37957206 Free PMC article.
Modeling heme proteins using atomistic simulations.
Bikiel DE, Boechi L, Capece L, Crespo A, De Biase PM, Di Lella S, González Lebrero MC, Martí MA, Nadra AD, Perissinotti LL, Scherlis DA, Estrin DA. Bikiel DE, et al. Among authors: gonzalez lebrero mc. Phys Chem Chem Phys. 2006 Dec 28;8(48):5611-28. doi: 10.1039/b611741b. Epub 2006 Oct 11. Phys Chem Chem Phys. 2006. PMID: 17149482 Review.
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