OPLS4: Improving force field accuracy on challenging regimes of chemical space C Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ... Journal of chemical theory and computation 17 (7), 4291-4300, 2021 | 735 | 2021 |
AMBER 2018, University of California, San Francisco DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... Ta [Google Scholar], 2018 | 474* | 2018 |
Sharply Tuned pH Response of Genetic Competence Regulation in Streptococcus mutans: a Microfluidic Study of the Environmental Sensitivity of comX M Son, D Ghoreishi, SJ Ahn, RA Burne, SJ Hagen Applied and Environmental Microbiology 81 (16), 5622-5631, 2015 | 49 | 2015 |
Transferable neural network potential energy surfaces for closed-shell organic molecules: Extension to ions LD Jacobson, JM Stevenson, F Ramezanghorbani, D Ghoreishi, ... Journal of Chemical Theory and Computation 18 (4), 2354-2366, 2022 | 34 | 2022 |
Fast implementation of the nudged elastic band method in AMBER D Ghoreishi, DS Cerutti, Z Fallon, C Simmerling, AE Roitberg Journal of chemical theory and computation 15 (8), 4699-4707, 2019 | 20 | 2019 |
Advancing free-energy calculations of metalloenzymes in drug discovery via implementation of LFMM potentials S Dajnowicz, D Ghoreishi, K Modugula, W Damm, ED Harder, R Abel, ... Journal of Chemical Theory and Computation 16 (11), 6926-6937, 2020 | 12 | 2020 |