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2023Computational and Enzymatic Studies of Sartans in SARS-CoV-2 Spike RBD-ACE2 Binding: The Role of Tetrazole and Perspectives as Antihypertensive and COVID-19 TherapeuticsKelaidonis, Konstantinos; Ligielli, Irene; Letsios, Spiros; Vidali, Veroniki P; Mavromoustakos, Thomas; Vassilaki, Niki; Moore, Graham J; Hoffmann, Weronika; Węgrzyn, Katarzyna; Ridgway, Harry; Chasapis, Christos T.; Matsoukas, John M
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2008Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulationsDurdagi, Serdar; Μαυρομούστακος, Θωμάς; Chronakis, Nikos; Παπαδόπουλος, Μάνθος Γ.
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2011Computational Insight into the Electronic Structure and Absorption Spectra of Lithium Complexes of N-Confused TetraphenylporphyrinTzeli, Demeter; Πετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα
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2019A computational investigation of stereochemical preferences in the oxidative addition of allylic substrates on Mo(CO)3L: L = (S,S)-(2-pyridinecarboxamide)-(2-phenylcarboxamide)-1,2-cyclohexaneSarantopoulos N.; Simandiras E.D.
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2019A computational pipeline for the extraction of actionable biological information from NGS-phage display experimentsVekris A.; Pilalis E.; Chatziioannou A.; Petry K.G.
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2022Computational spectroscopic study of tetraphenyl porphyrins in solution and on 2D-MoS2 surfacePapamichalis, E.
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2010A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysisDurdagi, Serdar; Παπαδόπουλος, Μάνθος Γ.; Ζουμπουλάκης, Παναγιώτης; Koukoulitsa, Catherine; Μαυρομούστακος, Θωμάς
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1999Computer simulation of the linear and nonlinear optical properties of liquid benzene: Its local fields, refractive index, and second nonlinear susceptibilityJanssen, R. H. C.; Bomont, J. M.; Theodorou, D. N.; Raptis, S.; Παπαδόπουλος, Μάνθος Γ.
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2005Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilitiesΡαϊς, Χεριμπέρτ; Grzybowski, A.; Παπαδόπουλος, Μάνθος Γ.
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2006Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. II. Local field effects and optical susceptibilititiesΡαϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.; Grzybowski, A.
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2008Computer-supported angiogenesis quantification using image analysis and statistical averagingDoukas, Charalampos N.; Maglogiannis, Ilias; Χατζηιωάννου, Αριστοτέλης
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2016Computing correct truncated excited state wavefunctionsBacalis N.C.; Xiong Z.; Zang J.; Karaoulanis D.
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1975Concentration and Substrate Dependent Reaction-Mechanisms in Metal Ketyl-Alkyl Halide System - Magnetochemical Zero-Order Kinetics as Evidence for a Diamagnetic Reactive Species at High Ketyl Concentrations - Catalysis by Transition-MetalsΣκρέττας, Κωνσταντίνος Γ.; Georgiou, D. G.
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2021Conceptions sur la traduction au cours des Lumières néohélléniquesAlexandra Sfoini
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1962Conceptual Design of the Royal Hellenic Research Institute Athens, Greece: a report to the Royal Hellenic Research FoundationArthur D. Little Inc.
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2012Conceptualizations of the Cataloging Object: A Critique on Current Perceptions of FRBR Group 1 EntitiesPeponakis, Manolis
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2005A concise approach to benzoic acid derivatives bearing an alpha,beta-unsaturated ketone substituent: Synthesis of methyl taboganateDetsi, A.; Roussis, V.; Tsotinis, A.; Roussakis, C.; Καλογεροπούλου, Θεοδώρα
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2016Concluding Remarks by Greek Officials and EC representative, on Copernicus Training and Information SessionLukaszczyk, Agnieszka; Ourevitch, Stephane; Kontoes, Haris; Koniaris, Marios
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2003ConclusioniΡιζάκης, Θανάσης
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2018Conclusions at “Open Scholarly Communication in Europe: Addressing the Coordination Challenge”Mounier, Pierre; Angelaki, Marina
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