| Eigenvector centrality for characterization of protein allosteric pathways CFA Negre*, UN Morzan*, HP Hendrickson, R Pal, GP Lisi, JP Loria, ... Proceedings of the National Academy of Sciences 115 (52), E12201-E12208, 2018 | 224 | 2018 |
| Spectroscopy in complex environments from QM–MM simulations UN Morzan, DJ Alonso de Armino, NO Foglia, F Ramirez, ... Chemical reviews 118 (7), 4071-4113, 2018 | 182 | 2018 |
| Allosteric motions of the CRISPR–Cas9 HNH nuclease probed by NMR and molecular dynamics KW East, JC Newton, UN Morzan, YB Narkhede, A Acharya, E Skeens, ... Journal of the American Chemical Society 142 (3), 1348-1358, 2019 | 95 | 2019 |
| Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework UN Morzan, FF Ramírez, MB Oviedo, CG Sánchez, DA Scherlis, ... The Journal of chemical physics 140 (16), 2014 | 49 | 2014 |
| A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks PJ Dahl, SM Yi, Y Gu, A Acharya, C Shipps, J Neu, JP O’Brien, ... Science Advances 8 (19), eabm7193, 2022 | 47 | 2022 |
| Insights into the mechanism of the reaction between hydrogen sulfide and peroxynitrite E Cuevasanta, A Zeida, S Carballal, R Wedmann, UN Morzan, M Trujillo, ... Free Radical Biology and Medicine 80, 93-100, 2015 | 47 | 2015 |
| Enhanced specificity mutations perturb allosteric signaling in CRISPR-Cas9 L Nierzwicki, KW East, UN Morzan, PR Arantes, VS Batista, GP Lisi, ... Elife 10, e73601, 2021 | 37 | 2021 |
| Short hydrogen bonds enhance nonaromatic protein-related fluorescence AD Stephens, MN Qaisrani, MT Ruggiero, G Díaz Mirón, UN Morzan, ... Proceedings of the National Academy of Sciences 118 (21), e2020389118, 2021 | 35 | 2021 |
| Nitrosodisulfide [S 2 NO]−(perthionitrite) is a true intermediate during the “cross-talk” of nitrosyl and sulfide JP Marcolongo, UN Morzan, A Zeida, DA Scherlis, JA Olabe Physical Chemistry Chemical Physics 18 (43), 30047-30052, 2016 | 34 | 2016 |
| Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code JP Marcolongo, A Zeida, JA Semelak, NO Foglia, UN Morzan, DA Estrin, ... Frontiers in chemistry 6, 70, 2018 | 31 | 2018 |
| Electron transport in real time from first-principles UN Morzan, FF Ramírez, MC González Lebrero, DA Scherlis The Journal of Chemical Physics 146 (4), 2017 | 27 | 2017 |
| Water network dynamics next to the oxygen-evolving complex of photosystem II K Reiss, UN Morzan, AT Grigas, VS Batista Inorganics 7 (3), 39, 2019 | 25 | 2019 |
| Non-aromatic fluorescence in biological matter: the exception or the rule? UN Morzan, G Díaz Mirón, L Grisanti, MC González Lebrero, ... The Journal of Physical Chemistry B 126 (38), 7203-7211, 2022 | 24 | 2022 |
| A cost-effective algae-based biosensor for water quality analysis: Development and testing in collaboration with peasant communities C Prudkin-Silva, E Lanzarotti, L Álvarez, MB Vallerga, M Factorovich, ... Environmental Technology & Innovation 22, 101479, 2021 | 21 | 2021 |
| Emergence of Electric Fields at the Water–C12E6 Surfactant Interface R Gera, H Bakker, R Franklin-Mergarejo, UN Morzan, G Falciani, ... Journal of the American Chemical Society 143 (37), 15103–15112, 2021 | 20 | 2021 |
| Role of core electrons in quantum dynamics using TDDFT NO Foglia, UN Morzan, DA Estrin, DA Scherlis, MC Gonzalez Lebrero Journal of chemical theory and computation 13 (1), 77-85, 2017 | 20 | 2017 |
| Water Self‐Dissociation is Insensitive to Nanoscale Environments S Di Pino, YA Perez Sirkin, UN Morzan, VM Sánchez, A Hassanali, ... Angewandte Chemie 135 (34), e202306526, 2023 | 14 | 2023 |
| The collective burst mechanism of angular jumps in liquid water A Offei-Danso, UN Morzan, A Rodriguez, A Hassanali, A Jelic Nature Communications 14 (1), 1345, 2023 | 14 | 2023 |
| Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy UN Morzan, PE Videla, MB Soley, ETJ Nibbering, VS Batista Angewandte Chemie International Edition, 2020 | 14 | 2020 |
| Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy UN Morzan, PE Videla, MB Soley, ETJ Nibbering, VS Batista Angewandte Chemie, 0 | 14 | |