| ff19SB: Amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution C Tian, K Kasavajhala, KAA Belfon, L Raguette, H Huang, AN Migues, ... Journal of chemical theory and computation 16 (1), 528-552, 2019 | 1011 | 2019 |
| The flexibility of ACE2 in the context of SARS-CoV-2 infection EP Barros, L Casalino, Z Gaieb, AC Dommer, Y Wang, L Fallon, ... Biophysical journal 120 (6), 1072-1084, 2021 | 118 | 2021 |
| Free energy landscapes from SARS-CoV-2 spike glycoprotein simulations suggest that rbd opening can be modulated via interactions in an allosteric pocket L Fallon, KAA Belfon, L Raguette, Y Wang, D Stepanenko, A Cuomo, ... Journal of the American Chemical Society 143 (30), 11349-11360, 2021 | 48 | 2021 |
| Ion solvation and dynamics at solid electrolyte interphases: a long way from bulk? L Raguette, R Jorn The Journal of Physical Chemistry C 122 (6), 3219-3232, 2018 | 28 | 2018 |
| Investigating the mechanism of lithium transport at solid electrolyte interphases R Jorn, L Raguette, S Peart The Journal of Physical Chemistry C 124 (30), 16261-16270, 2020 | 20 | 2020 |
| Free energy landscapes for RBD opening in SARS-CoV-2 spike glycoprotein simulations suggest key interactions and a potentially druggable allosteric pocket L Fallon, K Belfon, L Raguette, Y Wang, C Corbo, D Stepanenko, ... | 9 | 2020 |
| Receptor binding may directly activate the fusion machinery in coronavirus spike glycoproteins Y Wang, L Fallon, L Raguette, S Budhan, K Belfon, D Stepanenko, ... bioRxiv, 2021.05. 10.443496, 2021 | 2 | 2021 |
| Adjusting the energy profile for CH–O interactions leads to improved stability of RNA stem-loop structures in MD simulations L Raguette, S Gunasekera, RV Diaz, E Aminov, J Linzer, D Parwana, ... | | 2024 |
| The flexibility of ACE2 in the context of SARS-CoV-2 infection (preprint) EP Barros, L Casalino, Z Gaieb, AC Dommer, Y Wang, L Fallon, ... | | 2020 |
| Modeling material properties and charge transfer for lithium-ion batteries L Raguette, R Jorn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Modeling Solvation Structure and Charge Transfer at the Solid Electrolyte Interphase for Lithium-Ion Batteries LE Raguette Villanova University, 2017 | | 2017 |
| Modeling materials and charge transfer for lithium-ion batteries L Raguette, R Jorn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Ion insertion barriers in prototypical lithium-ion batteries L Raguette ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
