| Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision C Schnedermann, X Yang, M Liebel, KM Spillane, J Lugtenburg, ... Nature chemistry 10 (4), 449-455, 2018 | 87 | 2018 |
| Toward automatic rhodopsin modeling as a tool for high-throughput computational photobiology F Melaccio, M del Carmen Marín, A Valentini, F Montisci, S Rinaldi, ... Journal of Chemical Theory and Computation 12 (12), 6020-6034, 2016 | 64 | 2016 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023 | 55 | 2023 |
| Probing the photodynamics of rhodopsins with reduced retinal chromophores M Manathunga, X Yang, HL Luk, S Gozem, LM Frutos, A Valentini, ... Journal of Chemical Theory and Computation 12 (2), 839-850, 2016 | 51 | 2016 |
| Impact of electronic state mixing on the photoisomerization time scale of the retinal chromophore M Manathunga, X Yang, Y Orozco-Gonzalez, M Olivucci The Journal of Physical Chemistry Letters 8 (20), 5222-5227, 2017 | 35 | 2017 |
| Frontiers in multiscale modeling of photoreceptor proteins MA Mroginski, S Adam, GS Amoyal, A Barnoy, AN Bondar, VA Borin, ... Photochemistry and photobiology 97 (2), 243-269, 2021 | 27 | 2021 |
| Quantum–classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency X Yang, M Manathunga, S Gozem, J Léonard, T Andruniów, M Olivucci Nature chemistry 14 (4), 441-449, 2022 | 24 | 2022 |
| Electronic State Mixing Controls the Photoreactivity of a Rhodopsin with all-trans Chromophore Analogues M Manathunga, X Yang, M Olivucci The journal of physical chemistry letters 9 (21), 6350-6355, 2018 | 23 | 2018 |
| Towards the engineering of a photon-only two-stroke rotary molecular motor M Filatov, M Paolino, R Pierron, A Cappelli, G Giorgi, J Léonard, ... nature communications 13 (1), 6433, 2022 | 19 | 2022 |
| Web-ARM: a web-based interface for the automatic construction of QM/MM models of rhodopsins L Pedraza-González, MDC Marín, AN Jorge, TD Ruck, X Yang, ... Journal of chemical information and modeling 60 (3), 1481-1493, 2020 | 15 | 2020 |
| Two-state, three-mode parametrization of the force field of a retinal chromophore model E Marsili, MH Farag, X Yang, L De Vico, M Olivucci The Journal of Physical Chemistry A 123 (9), 1710-1719, 2019 | 15 | 2019 |
| Multistate multiconfiguration quantum chemical computation of the two-photon absorption spectra of bovine rhodopsin S Gholami, L Pedraza-González, X Yang, AA Granovsky, IN Ioffe, ... The journal of physical chemistry letters 10 (20), 6293-6300, 2019 | 12 | 2019 |
| Xanthopsin‐like systems via site‐specific click‐functionalization of a retinoic acid binding protein G Tassone, M Paolino, C Pozzi, A Reale, L Salvini, G Giorgi, M Orlandini, ... ChemBioChem 23 (1), e202100449, 2022 | 6 | 2022 |
| On the automatic construction of QM/MM models for biological photoreceptors: rhodopsins as model systems L Pedraza-González, MC Marín, L De Vico, X Yang, M Olivucci QM/MM studies of light-responsive biological systems, 1-75, 2021 | 4 | 2021 |
| Resonant multiphoton processes and excitation limits to structural dynamics WJC Francis, H Grewal, AAC Wainwright, X Yang, M Olivucci, RJ Miller Structural Dynamics 11 (2), 2024 | | 2024 |
| Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of … R Palombo, L Barneschi, L Pedraza-González, X Yang, M Olivucci Physical Chemistry Chemical Physics 26 (13), 10343-10356, 2024 | | 2024 |
| Comparative Quantum-Classical Dynamics of Natural and Synthetic Molecular Rotors Shows How Vibrational Synchronization Modulates Quantum Efficiency M Olivucci, A Blanco-Gonzalez, M Manathunga, X Yang | | 2023 |
| Comparative Quantum-Classical Dynamics of Natural and Synthetic Molecular Rotors Show How Vibrational Synchronization Modulates the Photoisomerization Quantum Efficiency A Blanco-Gonzalez, M Manathunga, X Yang, M Olivucci | | 2023 |
| Probing the Photochemistry of Rhodopsin Through Population Dynamics Simulations X Yang Bowling Green State University, 2019 | | 2019 |
| Evidence for a vibrational phase isotope effect on the photochemistry of vision C Schnedermann, X Yang, M Liebel, KM Spillane, J Lugtenburg, ... | | |
