Publications
Publications
Simulation-Driven Design of Stabilized SARS-CoV-2 Spike S2 Immunogens. Nuqui, X., Casalino, L., Zhou, L., Shehata, M., Wang, A., Alexandra, L. T., ... Amaro, R. E. (2023). BioRxiv.org.
APOBEC3A Catalytic Inactivity Mutation Induces Tertiary Structure Destabilization. Jones, K., Shehata, M., Carpenter, M., Amaro, R., Harki, D. ACS Medicinal Chemistry Letters 2023,14(3), 338-343.
Brave new surfactant world revisited by thermoalkalophilic lipases: computational insights into the role of SDS as a substrate analog. Shehata, M., Ünlü, A., Iglesias-Fernández, J., Osuna, S., Sezerman, O. U., Timucin, E.. Physical Chemistry Chemical Physics 2023,25(3), 2234-2247.
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. Shehata, M., Unlu, A., Sezerman, O. U., Timucin, E. The Journal of Physical Chemistry B 2020, 124 (40), 8801-8810.
Understanding thermal and organic solvent stability of thermoalkalophilic lipases: insights from computational predictions and experiments. Shehata, M., Timucin, E., Venturini, A., Sezerman, O. U.. Journal of Molecular Modeling 2020, 26, 1-12.