| Modern quantum chemistry with [Open] Molcas F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ... The Journal of chemical physics 152 (21), 2020 | 410 | 2020 |
| a-ARM: automatic rhodopsin modeling with chromophore cavity generation, ionization state selection, and external counterion placement L Pedraza-González, L De Vico, MC Marı́n, F Fanelli, M Olivucci Journal of chemical theory and computation 15 (5), 3134-3152, 2019 | 53* | 2019 |
| Frontiers in multiscale modeling of photoreceptor proteins M Mroginski, S Adam, GS Amoyal, A Barnoy, A Bondar, VA Borin, ... Photochemistry and photobiology 97 (2), 243-269, 2021 | 34 | 2021 |
| Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin R Palombo, L Barneschi, L Pedraza-González, D Padula, I Schapiro, ... Nature Communications 13 (1), 6652, 2022 | 26 | 2022 |
| Covalent bonds in positron dihalides F Moncada, L Pedraza-González, J Charry, MTN Varella, A Reyes Chemical science 11 (1), 44-52, 2020 | 24 | 2020 |
| On the fluorescence enhancement of arch neuronal optogenetic reporters L Barneschi, E Marsili, L Pedraza-González, D Padula, L De Vico, ... Nature Communications 13 (1), 6432, 2022 | 21 | 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 | 17 | 2020 |
| 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 | 17 | 2019 |
| Evolution of the automatic rhodopsin modeling (ARM) protocol LP González, L Barneschi, D Padula, LD Vico, M Olivucci New Horizons in Computational Chemistry Software, 105-152, 2022 | 15 | 2022 |
| Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2 Y Nakajima, L Pedraza-González, L Barneschi, K Inoue, M Olivucci, ... Communications Biology 4 (1), 1185, 2021 | 15 | 2021 |
| Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach L Pedraza-González, J Romero, J Alí-Torres, A Reyes Physical Chemistry Chemical Physics 18 (39), 27185-27189, 2016 | 15 | 2016 |
| Automated QM/MM screening of rhodopsin variants with enhanced fluorescence L Pedraza-González, L Barneschi, M Marszałek, D Padula, L De Vico, ... Journal of chemical theory and computation 19 (1), 293-310, 2022 | 12 | 2022 |
| Revisiting the Dielectric Constant Effect on the Nucleophile and Leaving Group of Prototypical Backside SN2 Reactions: A Reaction Force and Atomic Contribution … L Pedraza-González, JF Galindo, R González, A Reyes The Journal of Physical Chemistry A 120 (42), 8360-8368, 2016 | 12 | 2016 |
| How the pH controls photoprotection in the light-harvesting complex of mosses L Pedraza-González, E Cignoni, J D’Ascenzi, L Cupellini, B Mennucci Journal of the American Chemical Society 145 (13), 7482-7494, 2023 | 10 | 2023 |
| Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII L Pedraza-González, D Accomasso, L Cupellini, G Granucci, B Mennucci Photochemical & Photobiological Sciences, 2023 | 8 | 2023 |
| The three-center two-positron bond J Charry, F Moncada, M Barborini, L Pedraza-González, MTN Varella, ... Chemical Science 13 (46), 13795-13802, 2022 | 8 | 2022 |
| Fast and Accurate Prediction of Proton Affinities: Revisiting the Extended Koopmans' Theorem for Protons L Pedraza-González, J Charry, WD Quintero, J Ali-Torres, A Reyes Physical Chemistry Chemical Physics, 25324-25333, 2017 | 7 | 2017 |
| Triterpene derivatives as potential inhibitors of the RBD spike protein from SARS-CoV-2: an in silico approach M Avelar, L Pedraza-González, A Sinicropi, V Flores-Morales Molecules 28 (5), 2333, 2023 | 5 | 2023 |
| 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 | 5 | 2021 |
| On the physical interpretation of the nuclear molecular orbital energy J Charry, L Pedraza-González, A Reyes The Journal of Chemical Physics 146 (21), 2017 | 5 | 2017 |
Andres ReyesProfessor of Chemistry, Universidad Nacional de ColombiaVerified email at unal.edu.co
