| Carbon nanotubes encapsulating fullerene as water nano-channels with distinctive selectivity: Molecular dynamics simulation M Foroutan, VF Naeini, M Ebrahimi Applied Surface Science 489, 198-209, 2019 | 27 | 2019 |
| Symmetry-Adapted Restraints for Binding Free Energy Calculations M Ebrahimi, J Hénin Journal of Chemical Theory and Computation 18 (4), 2494-2502, 2022 | 8 | 2022 |
| Enhanced wettability of long narrow carbon nanotubes in a double-walled hetero-structure: unraveling the effects of a boron nitride nanotube as the exterior M Foroutan, VF Naeini, M Ebrahimi Physical Chemistry Chemical Physics 22 (1), 391-401, 2020 | 6 | 2020 |
| High-Performance Biomimetic Water Channel: The Constructive Interplay of Interaction Parameters and Hydrophilic Doping Levels M Ebrahimi, M Foroutan The Journal of Physical Chemistry B 125 (41), 11566-11581, 2021 | 3 | 2021 |
| A V(iii)-induced metallogel with solvent stimuli-responsive properties: structural proof-of-concept with MD simulations S Sedghiniya, J Soleimannejad, M Foroutan, M Ebrahimi, VF Naeini RSC Advances 11 (58), 36801-36813, 2021 | 3 | 2021 |
| Computing Absolute Binding Affinities by Streamlined Alchemical Free Energy Perturbation (SAFEP)[Article v1. 0] E Santiago-McRae, M Ebrahimi, JW Sandberg, G Brannigan, J Hénin Living Journal of Computational Molecular Science 5 (1), 2067-2067, 2023 | 2 | 2023 |
