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Journal of Molecular Graphics & Modelling|February 13, 2026
In silico investigation of complexes formed between chemical UV filters and cyclodextrins in waterGrigorios Megariotis, Georgios Mikaelian, Haralambos Sarimveis
The Journal of Physical Chemistry. B|June 20, 2024
Interactions of a Novel Anthracycline with Oligonucleotide DNA and Cyclodextrins in an Aqueous EnvironmentGeorgios Mikaelian, Grigorios Megariotis, Doros N Theodorou
The Journal of Physical Chemistry. B|August 12, 2025
Thermodynamics and Kinetics of the Deintercalation of a Novel Anthracycline from Double-Stranded Oligonucleotide DNAGeorgios Mikaelian, Haralambos Sarimveis, Doros N Theodorou, et al.
Journal of Molecular Graphics & Modelling|August 20, 2022
Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrinGrigorios Megariotis, Georgios Mikaelian, Aggelos Avramopoulos, et al.
Journal of Chemical Information and Modeling|May 17, 2012
Computational studies of darunavir into HIV-1 protease and DMPC bilayer: necessary conditions for effective binding and the role of the flapsGeorgios Leonis, Żaneta Czyżnikowska, Grigorios Megariotis, et al.
Journal of Molecular Graphics & Modelling|June 26, 2021
In silico study of levodopa in hydrated lipid bilayers at the atomistic levelGrigorios Megariotis, Nikolaos Romanos, Aggelos Avramopoulos, et al.
Polymers|April 10, 2019
Slip Spring-Based Mesoscopic Simulations of Polymer Networks: Methodology and the Corresponding Computational CodeGrigorios Megariotis, Georgios G Vogiatzis, Aristotelis P Sgouros, et al.
Journal of Medicinal Chemistry|May 25, 2012
Dual inhibitors for aspartic proteases HIV-1 PR and renin: advancements in AIDS-hypertension-diabetes linkage via molecular dynamics, inhibition assays, and binding free energy calculationsHaralambos Tzoupis, Georgios Leonis, Grigorios Megariotis, et al.
Bioorganic & Medicinal Chemistry|October 9, 2012
Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active siteNicole Varvarigou, Grigorios Megariotis, Georgios Leonis, et al.
Biochimica Et Biophysica Acta|August 22, 2012
Comparative study of the AT₁ receptor prodrug antagonist candesartan cilexetil with other sartans on the interactions with membrane bilayersCharalambos Fotakis, Grigorios Megariotis, Dionysios Christodouleas, et al.
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