Assessing the Current State of Amber Force Field Modifications for DNA─ 2023 Edition O Love, R Galindo-Murillo, M Zgarbová, J Šponer, P Jurečka, ... Journal of Chemical Theory and Computation 19 (13), 4299-4307, 2023 | 29 | 2023 |
Van der Waals parameter scanning with Amber nucleic acid force fields: Revisiting means to better capture the RNA/DNA structure through MD O Love, L Winkler, TE Cheatham III Journal of Chemical Theory and Computation 20 (2), 625-643, 2023 | 10 | 2023 |
Evaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domains O Love, MC Pacheco Lima, C Clark, S Cornillie, S Roalstad, ... Journal of Biomolecular Structure and Dynamics 41 (13), 5946-5960, 2023 | 10 | 2023 |
modXNA: A Modular Approach to Parametrization of Modified Nucleic Acids for Use with Amber Force Fields O Love, R Galindo-Murillo, DR Roe, PD Dans, TE Cheatham III, ... Journal of Chemical Theory and Computation 20 (21), 9354-9363, 2024 | | 2024 |