Lipase and water in a deep eutectic solvent: molecular dynamics and experimental studies of the effects of water-in-deep eutectic solvents on lipase stability M Shehata, A Unlu, U Sezerman, E Timucin The Journal of Physical Chemistry B 124 (40), 8801-8810, 2020 | 41 | 2020 |
Understanding thermal and organic solvent stability of thermoalkalophilic lipases: insights from computational predictions and experiments M Shehata, E Timucin, A Venturini, OU Sezerman Journal of molecular modeling 26, 1-12, 2020 | 19 | 2020 |
Brave new surfactant world revisited by thermoalkalophilic lipases: computational insights into the role of SDS as a substrate analog M Shehata, A Ünlü, J Iglesias-Fernández, S Osuna, OU Sezerman, ... Physical Chemistry Chemical Physics 25 (3), 2234-2247, 2023 | 4* | 2023 |
APOBEC3A catalytic inactivity mutation induces tertiary structure destabilization KFM Jones, M Shehata, MA Carpenter, RE Amaro, DA Harki ACS Medicinal Chemistry Letters 14 (3), 338-343, 2023 | 2 | 2023 |
Simulation-Driven Design of Stabilized SARS-CoV-2 Spike S2 Immunogens X Nuqui, L Casalino, L Zhou, M Shehata, A Wang, AL Tse, AA Ojha, ... bioRxiv, 2023.10. 24.563841, 2023 | 1 | 2023 |
Harnessing molecular simulations to design stabilized SARS-CoV-2 S2 antigens L Casalino, X Nuqui, L Zhou, M Shehata, A Wang, LT Alexandra, AA Ojha, ... Biophysical Journal 123 (3), 56a, 2024 | | 2024 |
Stabilized SARS-CoV-2 spike S2 immunogens designed using insights from enhanced sampling molecular dynamics simulations X Nuqui, L Casalino, M Shehata, AA Ojha, FL Kearns, M Rosenfeld, ... Biophysical Journal 122 (3), 312a, 2023 | | 2023 |
The potassium-selective channel “NaK2K”: Why is it a potassium channel? M Shehata, W Kopec, BL de Groot, RE Amaro Biophysical Journal 122 (3), 245a, 2023 | | 2023 |
Brave New Surfactant World Revisited by Lipases: Activation and Unfolding in SDS M Shehata, A Unlu, E Timucin Biophysical Journal 120 (3), 292a, 2021 | | 2021 |