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Journal of Computer-Aided Molecular Design|March 31, 2024
Identifying and characterising promising small molecule inhibitors of kinesin spindle protein using ligand-based virtual screening, molecular docking, molecular dynamics and MM‑GBSA calculationsSamia A ElseginyJournal of Biomolecular Structure & Dynamics|October 22, 2021
Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M<sup>pro</sup>Samia A ElseginyJournal of Biomolecular Structure & Dynamics|December 12, 2023
Exploring binding mechanisms of omicron spike protein with dolutegravir and etravirine by molecular dynamics simulation, principal component analysis, and free binding energy calculationsSamia A ElseginyACS Omega|January 17, 2022
Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide ScaffoldSamia A Elseginy, Manal M AnwarRSC Advances|May 2, 2022
<i>In silico</i> analysis of SARS-CoV-2 papain-like protease potential inhibitorsSamia A Elseginy, Manal M AnwarAntiviral Chemistry & Chemotherapy|May 3, 2013
Small molecule inhibitors of West Nile virusSamia A Elseginy, Alberto Massarotti, Galal Am Nawwar, et al.RSC Medicinal Chemistry|September 12, 2022
Identification and validation of novel microtubule suppressors with an imidazopyridine scaffold through structure-based virtual screening and dockingSamia A Elseginy, A Sofia F Oliveira, Deborah K Shoemark, et al.Molecules (Basel, Switzerland)|April 17, 2019
New Quinoline-Based Heterocycles as Anticancer Agents Targeting Bcl-2Rania Hamdy, Samia A Elseginy, Noha I Ziedan, et al.Bioorganic Chemistry|January 15, 2019
Synthesis, anticancer effect and molecular modeling of new thiazolylpyrazolyl coumarin derivatives targeting VEGFR-2 kinase and inducing cell cycle arrest and apoptosisTahia K Mohamed, Rasha Z Batran, Samia A Elseginy, et al.Bioorganic & Medicinal Chemistry|May 26, 2018
Design, synthesis and molecular modeling of new 4-phenylcoumarin derivatives as tubulin polymerization inhibitors targeting MCF-7 breast cancer cellsRasha Z Batran, Asmaa F Kassem, Eman M H Abbas, et al.Pageof 3