Manathunga M - Search Results

1

Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems.

Nikolaev DM, Manathunga M, Orozco-Gonzalez Y, Shtyrov AA, Guerrero Martínez YO, Gozem S, Ryazantsev MN, Coutinho K, Canuto S, Olivucci M. Nikolaev DM, et al. Among authors: manathunga m. J Chem Theory Comput. 2021 Sep 14;17(9):5885-5895. doi: 10.1021/acs.jctc.1c00221. Epub 2021 Aug 11. J Chem Theory Comput. 2021. PMID: 34379429

2

Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores.

Manathunga M, Yang X, Luk HL, Gozem S, Frutos LM, Valentini A, Ferrè N, Olivucci M. Manathunga M, et al. J Chem Theory Comput. 2016 Feb 9;12(2):839-50. doi: 10.1021/acs.jctc.5b00945. Epub 2016 Jan 6. J Chem Theory Comput. 2016. PMID: 26640959

3

Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.

Paolino M, Gueye M, Pieri E, Manathunga M, Fusi S, Cappelli A, Latterini L, Pannacci D, Filatov M, Léonard J, Olivucci M. Paolino M, et al. Among authors: manathunga m. J Am Chem Soc. 2016 Aug 10;138(31):9807-25. doi: 10.1021/jacs.5b10812. Epub 2016 Jul 29. J Am Chem Soc. 2016. PMID: 27322488

4

Impact of Electronic State Mixing on the Photoisomerization Time Scale of the Retinal Chromophore.

Manathunga M, Yang X, Orozco-Gonzalez Y, Olivucci M. Manathunga M, et al. J Phys Chem Lett. 2017 Oct 19;8(20):5222-5227. doi: 10.1021/acs.jpclett.7b02344. Epub 2017 Oct 11. J Phys Chem Lett. 2017. PMID: 28981285

5

An Average Solvent Electrostatic Configuration Protocol for QM/MM Free Energy Optimization: Implementation and Application to Rhodopsin Systems.

Orozco-Gonzalez Y, Manathunga M, Marín MDC, Agathangelou D, Jung KH, Melaccio F, Ferré N, Haacke S, Coutinho K, Canuto S, Olivucci M. Orozco-Gonzalez Y, et al. Among authors: manathunga m. J Chem Theory Comput. 2017 Dec 12;13(12):6391-6404. doi: 10.1021/acs.jctc.7b00860. Epub 2017 Nov 21. J Chem Theory Comput. 2017. PMID: 29112449

6

Engineering the vibrational coherence of vision into a synthetic molecular device.

Gueye M, Manathunga M, Agathangelou D, Orozco Y, Paolino M, Fusi S, Haacke S, Olivucci M, Léonard J. Gueye M, et al. Among authors: manathunga m. Nat Commun. 2018 Jan 22;9(1):313. doi: 10.1038/s41467-017-02668-w. Nat Commun. 2018. PMID: 29358689 Free PMC article.

7

Electronic State Mixing Controls the Photoreactivity of a Rhodopsin with all- trans Chromophore Analogues.

Manathunga M, Yang X, Olivucci M. Manathunga M, et al. J Phys Chem Lett. 2018 Nov 1;9(21):6350-6355. doi: 10.1021/acs.jpclett.8b02550. Epub 2018 Oct 23. J Phys Chem Lett. 2018. PMID: 30336038 Free PMC article.

8

Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin.

Manathunga M, Jenkins AJ, Orozco-Gonzalez Y, Ghanbarpour A, Borhan B, Geiger JH, Larsen DS, Olivucci M. Manathunga M, et al. J Phys Chem Lett. 2020 Jun 4;11(11):4245-4252. doi: 10.1021/acs.jpclett.0c00751. Epub 2020 May 13. J Phys Chem Lett. 2020. PMID: 32374610 Free PMC article.

9

On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor.

Paolino M, Giovannini T, Manathunga M, Latterini L, Zampini G, Pierron R, Léonard J, Fusi S, Giorgi G, Giuliani G, Cappelli A, Cappelli C, Olivucci M. Paolino M, et al. Among authors: manathunga m. J Phys Chem Lett. 2021 Apr 29;12(16):3875-3884. doi: 10.1021/acs.jpclett.1c00526. Epub 2021 Apr 15. J Phys Chem Lett. 2021. PMID: 33856801

10

Quantum-classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency.

Yang X, Manathunga M, Gozem S, Léonard J, Andruniów T, Olivucci M. Yang X, et al. Among authors: manathunga m. Nat Chem. 2022 Apr;14(4):441-449. doi: 10.1038/s41557-022-00892-6. Epub 2022 Mar 3. Nat Chem. 2022. PMID: 35241801 Free PMC article.

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