| AMBER 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, III T.E. Cheatham, ... http://ambermd.org/doc12/Amber18.pdf, 2018 | 5944* | 2018 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 551 | 2023 |
| Amber 2020: University of california DA Case, K Belfon, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, ... San Francisco, 2020 | 107 | 2020 |
| Experimental and theoretical investigation of sodiated multimers of steroid epimers with ion mobility-mass spectrometry CD Chouinard, VWD Cruzeiro, AE Roitberg, RA Yost Journal of The American Society for Mass Spectrometry 28 (2), 323-331, 2016 | 58 | 2016 |
| Investigating differences in gas-phase conformations of 25-hydroxyvitamin D3 sodiated epimers using ion mobility-mass spectrometry and theoretical modeling CD Chouinard, VWD Cruzeiro, CR Beekman, AE Roitberg, RA Yost Journal of the American Society for Mass Spectrometry 28 (8), 1497-1505, 2017 | 47 | 2017 |
| Structure–Activity Relationships of Benzenesulfonamide‐Based Inhibitors towards Carbonic Anhydrase Isoform Specificity A Bhatt, BP Mahon, VWD Cruzeiro, B Cornelio, M Laronze‐Cochard, ... Chembiochem 18 (2), 213-222, 2017 | 47 | 2017 |
| AMBER2020, university of California, San Fransisco DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham, ... J. Amer. Chem. Soc 142, 3823-3835, 2020 | 42 | 2020 |
| Open-source multi-GPU-accelerated QM/MM simulations with AMBER and QUICK VWD Cruzeiro, M Manathunga, KM Merz Jr, AW Götz Journal of Chemical Information and Modeling 61 (5), 2109-2115, 2021 | 40 | 2021 |
| AmberTools21 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, S Brozell, D Cerutti, ... University of California: San Francisco, CA, USA, 2021 | 39 | 2021 |
| Amber 2020, 2020 DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, T Cheatham, ... San Francisco: University of California.[Google Scholar], 2019 | 39 | 2019 |
| AMBER 20182018University of California DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... San Francisco, 0 | 34 | |
| Redox potential replica exchange molecular dynamics at constant pH in AMBER: Implementation and validation VWD Cruzeiro, MS Amaral, AE Roitberg The Journal of chemical physics 149 (7), 2018 | 33 | 2018 |
| Harnessing the power of multi-GPU acceleration into the quantum interaction computational kernel program M Manathunga, C Jin, VWD Cruzeiro, Y Miao, D Mu, K Arumugam, ... Journal of Chemical Theory and Computation 17 (7), 3955-3966, 2021 | 31 | 2021 |
| Relationship between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water VWD Cruzeiro, A Wildman, X Li, F Paesani The Journal of Physical Chemistry Letters 12 (16), 3996-4002, 2021 | 31 | 2021 |
| Kollman DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... PA, AMBER 8, 2023 | 26 | 2023 |
| Highly Accurate Many-Body Potentials for Simulations of N2O5 in Water: Benchmarks, Development, and Validation VWD Cruzeiro, E Lambros, M Riera, R Roy, F Paesani, AW Gotz Journal of Chemical Theory and Computation 17 (7), 3931-3945, 2021 | 20 | 2021 |
| Amber 2021; 2021 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 19 | 2021 |
| Uptake of N2O5 by aqueous aerosol unveiled using chemically accurate many-body potentials VWD Cruzeiro, M Galib, DT Limmer, AW Götz Nature communications 13 (1), 1266, 2022 | 17 | 2022 |
| Exploring coupled redox and pH processes with a force-field-based approach: applications to five different systems VWD Cruzeiro, GT Feliciano, AE Roitberg Journal of the American Chemical Society 142 (8), 3823-3835, 2020 | 16 | 2020 |
| TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client–server model VWD Cruzeiro, Y Wang, E Pieri, EG Hohenstein, TJ Martínez The Journal of Chemical Physics 158 (4), 2023 | 15 | 2023 |
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.Verified email at ufl.edu
