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Biological and Medicinal Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Mohamed Shehata

5 results in Authors: Mohamed Shehata

Theoretical and Computational Chemistry

3D2SMILES: Translating Physical Molecular Models into Digital DeepSMILES Notations Using Deep Learning

Wenqi Guo, Yiyang Du, Mohamed Shehata

Version 3 posted 19 November 2024

392

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Theoretical and Computational Chemistry

Understanding Thermal and Organic Solvent Stability of Thermoalkalophilic Lipases: Insights from Computational Predictions and Experiments

Mohamed Shehata, Emel Timucin, Alessandro Venturini, Osman Ugur Sezerman

Version 1 posted 20 December 2019

628

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Physical Chemistry

Brave New Surfactant World Revisited by Thermoalkalophilic Lipases: SDS as a Potential Substrate Analog

Mohamed Shehata, Aise Unlu, Javier Iglesias-Fernandez, Silvia Osuna, Ugur Sezerman, Emel Timucin

Version 1 posted 13 April 2022

171

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Biological and Medicinal Chemistry

Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)

Alaa M. Elgohary, Abdo A. Elfiky, Florbela Pereira, Mariam I. Gamal El-Din, Mohamed A. Tammam, Mohamed Sebak, Sherif I. Hamdallah, Emad Shehata, Amr El-Demerdash

Version 1 posted 08 May 2023

225

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Biological and Medicinal Chemistry

Exploring the NCS-382 Scaffold for CaMKIIα Modulation: Synthesis, Pharmacology, and Biophysical Characterization of Ph-HTBA as a Novel High-Affinity Brain-Penetrant Stabilizer of the CaMKIIα Hub Domain

Yongsong Tian, Mohamed Shehata, Stine Gauger, Carolina Veronesi, Louise Hamborg, Louise Thiesen, Jesper Bruus-Jensen, Johanne Schlieper Royssen, Ulrike Leurs, Anne Sofie Larsen, Jacob Krall, Sara Solbak, Petrine Wellendorph, Bente Frølund

Version 1 posted 30 May 2022

299

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