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[107] | Study of Candesartan (CAN)Cilexetil: 2-Hydroxypropyl-β-Cyclodextrin InteractionsInteractions: A Computational Approach Using Steered Molecular DynamicsMolecular dynamics Simulations (Kiriakidi, Sofia and Mavromoustakos, Thomas), Chapter in (Mavromoustakos, Thomas, Tzakos, Andreas G., Durdagi, Serdar, eds.), 2021. |
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[92] | Polarization lidar for detecting dust orientation: System design and calibration (Tsekeri, A., Amiridis, V., Louridas, A., Georgoussis, G., Freudenthaler, V., Metallinos, S., Doxastakis, G., Gasteiger, J., Siomos, N., Paschou, P., Georgiou, T., Tsaknakis, G., Evangelatos, C. and Binietoglou, I.), In Atmospheric Measurement Techniques Discussions, volume 2021, 2021. |
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[89] | Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments (Arnittali Maria, Rissanou Anastassia N., Amprazi Maria, Kokkinidis Michael, Harmandaris Vagelis), In International Journal of Molecular Sciences, volume 22, 2021. |
[88] | On the Optimization of Self-Organization and Self-Management Hardware Resource Allocation for Heterogeneous Clouds (Giannoutakis, Konstantinos M., Filelis-Papadopoulos, Christos K., Gravvanis, George A. and Tzovaras, Dimitrios), In Computers, volume 10, 2021. |
[87] | Numerical investigation of atmosphere-fire interactions during high-impact wildland fire events in Greece (Stergios Kartsios, Theodore Karacostas, Ioannis Pytharoulis and Alexandros P. Dimitrakopoulos), In Atmospheric Research, volume 247, 2021. |
[86] | Context-dependent Cryptic Roles of Specific Residues in Substrate Selectivity of the UapA Purine Transporter (Anezia Kourkoulou, Iliana Zantza, Konstantina Foti, Emmanuel Mikros and George Diallinas), In Journal of Molecular Biology, volume 433, 2021. |
[85] | Individual Contributions of Adsorbed and Free Chains to Microscopic Dynamics of Unentangled poly(ethylene Glycol)/Silica Nanocomposite Melts and the Important Role of End Groups: Theory and Simulation (Skountzos, Emmanuel N., Tsalikis, Dimitrios G., Stephanou, Pavlos S. and Mavrantzas, Vlasis G.), In Macromolecules, volume 54, 2021. |
[84] | Instability growth mitigation study of a dielectric coated metallic wire in a low current Z-pinch configuration (E Kaselouris, G Tamiolakis, I Fitilis, A Skoulakis, V Dimitriou and M Tatarakis), In Plasma Physics and Controlled Fusion, volume 63, 2021. |
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[80] | Lithium-Ion Desolvation Induced by Nitrate Additives Reveals New Insights into High Performance Lithium Batteries (Wahyudi, Wandi, Ladelta, Viko, Tsetseris, Leonidas, Alsabban, Merfat M., Guo, Xianrong, Yengel, Emre, Faber, Hendrik, Adilbekova, Begimai, Seitkhan, Akmaral, Emwas, Abdul-Hamid, Hedhili, Mohammed N., Li, Lain-Jong, Tung, Vincent, Hadjichristidis, Nikos, Anthopoulos, Thomas D. and Ming, Jun), In Advanced Functional Materials, volume 31, 2021. |
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[75] | Molecular simulation of the morphology and viscosity of aqueous micellar solutions of sodium lauryl ether sulfate (SLEnS) (Stavros D Peroukidis, Dimitris G Mintis, Ian Stott and Vlasis G Mavrantzas), In JPhys Materials, volume 4, 2021. |
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[73] | From Order to Disorder of Alkanethiol Self-Assembled Monolayers on Complex Au (211), (221), and (311) Surfaces: Impact of the Substrate (Stefanakis, Dimitrios, Harmandaris, Vangelis, Kopidakis, Georgios and Remediakis, Ioannis), In The Journal of Physical Chemistry C, volume 125, 2021. |
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[66] | A Low-Power CuSCN Hydrogen Sensor Operating Reversibly at Room Temperature (Kabitakis, Viktoras, Gagaoudakis, Emmanouil, Moschogiannaki, Marilena, Kiriakidis, George, Seitkhan, Akmaral, Firdaus, Yuliar, Faber, Hendrik, Yengel, Emre, Loganathan, Kalaivanan, Deligeorgis, George, Tsetseris, Leonidas, Anthopoulos, Thomas D. and Binas, Vassilios), In Advanced Functional Materials, 2021. |
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[62] | Using Two Compatible Donor Polymers Boosts the Efficiency of Ternary Organic Solar Cells to 17.7% (Peng, Wenhong, Lin, Yuanbao, Jeong, Sang Young, Firdaus, Yuliar, Genene, Zewdneh, Nikitaras, Aggelos, Tsetseris, Leonidas, Woo, Han Young, Zhu, Weiguo, Anthopoulos, Thomas D. and Wang, Ergang), In Chemistry of Materials, volume 33, 2021. |
[61] | Downscaled Finite Element Modeling of Metal Targets for Surface Roughness Level under Pulsed Laser Irradiation (Kaselouris, Evaggelos, Kosma, Kyriaki, Orphanos, Yannis, Skoulakis, Alexandros, Fitilis, Ioannis, Markopoulos, Angelos P., Bakarezos, Makis, Tatarakis, Michael, Papadogiannis, Nektarios A. and Dimitriou, Vasilis), In Applied Sciences, volume 11, 2021. |
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[59] | Epitaxial HfTe2 Dirac semimetal in the 2D limit (Tsipas,Polychronis, Pappas,Panagiotis, Symeonidou,Evgenia, Fragkos,Sotirios, Zacharaki,Christina, Xenogiannopoulou,Evangelia, Siannas,Nikitas and Dimoulas,Athanasios), In APL Materials, volume 9, 2021. |
[58] | High-intensity laser-driven secondary radiation sources using the ZEUS 45 TW laser system at the Institute of Plasma Physics and Lasers of the Hellenic Mediterranean University Research Centre (Clark, E. L., Grigoriadis, A., Petrakis, S., Tazes, I., Andrianaki, G., Skoulakis, A., Orphanos, Y., Kaselouris, E., Fitilis, I., Chatzakis, J. and et al.), In High Power Laser Science and Engineering, volume 9, 2021. |
[57] | Assessing climate change impacts on wind characteristics in Greece through high resolution regional climate modelling (Theodoros Katopodis, Iason Markantonis, Diamando Vlachogiannis, Nadia Politi and Athanasios Sfetsos), In Renewable Energy, volume 179, 2021. |
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[54] | Experimentally validated modeling of the optical energy deposition in highly ionized ambient air by strong femtosecond laser pulses (Kaleris Konstantinos, Tazes Ioannis, Orphanos Yannis, Petrakis Stelios, Bakarezos Makis, Mourjopoulos John, Dimitriou Vasilis, Tatarakis Michael, Papadogiannis Nektarios A.), In The European Physical Journal D, volume 75, 2021. |
[53] | Flow Past an Oscillating Cylinder: Effects of Oscillation Mode on Wake Structure (Peppa, S., Kaiktsis, L., Frouzakis, C. E. and Triantafyllou, G. S.), In Advances in Critical Flow Dynamics Involving Moving/Deformable Structures with Design Applications (Braza, Marianna, Hourigan, Kerry, Triantafyllou, Michael, eds.), Springer International Publishing, 2021. |
[52] | Standardization and Validation of Brachytherapy Seeds’ Modelling Using GATE and GGEMS Monte Carlo Toolkits (Chatzipapas, Konstantinos P., Plachouris, Dimitris, Papadimitroulas, Panagiotis, Mountris, Konstantinos A., Bert, Julien, Visvikis, Dimitris, Mihailidis, Dimitris and Kagadis, George C.), In Cancers, volume 13, 2021. |
[51] | The influence of the load's geometrical characteristics on the generation of the electro-thermo-mechanical instability in a single wire Z-pinch (E Kaselouris, G Tamiolakis, V Dimitriou and M Tatarakis), In , volume 1730, 2021. |
[50] | Assessing Design Thresholds in the Oil Infrastructure in Light of Climate Change and Extreme Weather Events (Theodoros Katopodis, Athanasios Sfetsos and Emmanuel D. Adamides), Chapter in , 2021. |
[49] | Binding Free Energy Calculations of Bilayer Graphenes Using Molecular Dynamics (Gotzias Anastasios), In Journal of Chemical Information and Modeling, volume 61, 2021. |
[48] | Mesoscopic simulations of star polyethylene melts at equilibrium and under steady shear flow (Philippas,Alexandros P., Sgouros,Aristotelis P., Megariotis,Grigorios and Theodorou,Doros N.), In AIP Conference Proceedings, volume 2343, 2021. |
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[46] | Investigation of the Drug Resistance Mechanism of M2-S31N Channel Blockers through Biomolecular Simulations and Viral Passage Experiments (Musharrafieh Rami, Lagarias Panagiotis, Ma Chunlong, Hau Raymond, Romano Alex, Lambrinidis George, Kolocouris Antonios. Wang Jun), In ACS Pharmacology & Translational Science, volume 3, 2021. |
[45] | Discovery of Selective Inhibitor Leads by Targeting an Allosteric Site in Insulin-Regulated Aminopeptidase (Temponeras Ioannis, Chiniadis Lykourgos, Papakyriakou Athanasios, Stratikos Efstratios), In Pharmaceuticals, volume 14, 2021. |
[44] | Enhancement of the Seebeck coefficient in ferrofluid based thermoelectric materials: A numerical study, In Materials Today: Proceedings, volume 44, 2021. |
[43] | Evaluation of self-organizing and self-managing heterogeneous high performance computing clouds through discrete-time simulation (Giannoutakis Konstantinos M., Filelis-Papadopoulos Christos K., Gravvanis George A., Tzovaras Dimitrios), In Concurrency and Computation: Practice and Experience, volume 33, 2021. |
[42] | Land-atmosphere interactions in sub-polar and alpine climates in the CORDEX FPS LUCAS models: Part II. The role of changing vegetation (Mooney P. A., Rechid D., Davin E. L., Katragkou E., de Noblet-Ducoudré N., Breil M., Cardoso R. M., Daloz A. S., Hoffmann P., Lima, D. C. A., Meier R., Soares P. M. M., Sofiadis G., Strada S., Strandberg G., Toelle M. H., Lund M. T.), In The Cryosphere Discussions, volume 2021, 2021. |
[41] | 18.4 % Organic Solar Cells Using a High Ionization Energy Self-Assembled Monolayer as Hole-Extraction Interlayer (Yuanbao Lin, Dr. Artiom Magomedov, Dr. Yuliar Firdaus, Dimitris Kaltsas, Dr. Abdulrahman El-Labban, Dr. Hendrik Faber, Dr. Dipti R. Naphade, Dr. Emre Yengel, Dr. Xiaopeng Zheng, Emre Yarali, Dr. Neha Chaturvedi, Kalaivanan Loganathan, Despoina Gkeka, Sanaa H. AlShammari, Prof. Osman M. Bakr, Prof. Frédéric Laquai, Prof. Leonidas Tsetseris, Prof. Vytautas Getautis, Prof. Thomas D. Anthopoulos), In ChemSusChem, volume 14, 2021. |
[40] | Molecular Dynamics Simulation of the n-Octacosane–Water Mixture Confined in Graphene Mesopores: Comparison of Atomistic and Coarse-Grained Calculations and the Effect of Catalyst Nanoparticle (Konstantinos D. Papavasileiou, Loukas D. Peristeras, Andreas Bick, Ioannis G. Economou), In Energy & Fuels, volume 35, 2021. |
[39] | In silico study of levodopa in hydrated lipid bilayers at the atomistic level (Grigorios Megariotis, Nikolaos Romanos, Aggelos Avramopoulos. Georgios Mikaelian, Doros N.Theodorou), In Journal of Molecular Graphics and Modelling, volume 107, 2021. |
[38] | On the magnetic aggre-gation of Fe3O4 nanoparticles (E. G. Karvelas, N. K. Lampropoulos, L. T. Benos, T. Karakasidis, I.E. Sarris), In Computer methods and programs in biomedicine, volume 198, 2021. |
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[33] | Structure and thermodynamics of grafted silica/polystyrene dilute nanocomposites investigated through self-consistent field theory (Lakkas Apostolos T., Sgouros Aristotelis P., Revelas Constantinos J., Theodorou Doros N.), In Soft Matter, volume 17, 2021. |
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[30] | A Survey on Sentiment Analysis and Opinion Mining in Greek Social Media (Alexandridis Georgios. Varlamis Iraklis, Korovesis Konstantinos, Caridakis George, Tsantilas Panagiotis), In Information, volume 12, 2021. |
[29] | On independent degrees of freedom of turbulent mixing: The one-dimensional formulation (Kioroglou Sotiris), In Physics of Fluids, volume 33, 2021. |
[28] | The sequence [EKRKI(E/R)(K/L/R/S/T)] is a nuclear localization signal for importin 7 binding (NLS7) (Athanasios A. Panagiotopoulos, Chara Polioudaki, Sotirios G. Ntallis, Dimitris Dellis, George Notas, Christos A. Panagiotidis, Panayiotis A. Theodoropoulos, Elias Castanas, Marilena Kampa), In Biochimica et Biophysica Acta (BBA) - General Subjects, volume 1865, 2021. |
[27] | The effect of S427F mutation on RXRα activity depends on its dimeric partner (Ioannis Galdadas, Vangelis Bonis, Paraskevi Vgenopoulou, Michail Papadourakis, Panos Kakoulidis, Georgia Stergiou, Zoe Cournia, Apostolos Klinakis), In Chem. Sci., 2021. |
[26] | A Hybrid Parallel Numerical Model for Wave-Induced Free-Surface Flow (Georgios Leftheriotis, Iason Chalmoukis, Guillermo Oyarzun, Athanassios Dimas), In Fluids, volume 6, 2021. |
[25] | Numerical Model of Wave-induced Coastal Hydrodynamic and Morphodynamic Processes (Georgios Leftheriotis), In The 31st International Ocean and Polar Engineering Conference, ISOPE, 2021. |
[24] | A Water/Ion Separation Device: Theoretical and Numerical Investigation (F. Sofos), In Appl. Sci., volume 11, 2021. |
[23] | FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations (Stamatia Zavitsanou, Alexandros Tsengenes, Michail Papadourakis, Giorgio Amendola, Alexios Chatzigoulas, Dimitris Dellis, Sandro Cosconati, Zoe Cournia), In J. Chem. Inf. Model., volume 61, 2021. |
[22] | Linear harmonic oscillatory rarefied gas flow with arbitrary frequency in comb finger blocks (Alexandros Tsimpoukis, Dimitris Valougeorgis), In Sensors and Actuators A: Physical, volume 331, 2021. |
[21] | Oscillatory pressure-driven rarefied binary gas mixture flow between parallel plates (Tsimpoukis, Alexandros, Naris, Steryios and Valougeorgis, Dimitris), In Phys. Rev. E, volume 103, 2021. |
[20] | Machine-learning interatomic potential for W-Mo alloys (G. Nikoulis, J. Byggmästar, J. Kioseoglou, K. Nordlund, F. Djurabekova), In Journal of Physics: Condensed Matter, volume 33, 2021. |
[19] | Engineering nitrogen- and hydrogen-related defects in ZnO nanowires using thermal annealing (José Villafuerte, Odette Chaix-Pluchery, Joseph Kioseoglou, Fabrice Donatini, Eirini Sarigiannidou, Julien Pernot, Vincent Consonni), In Phys. Rev. Materials, volume 5, 2021. |
[18] | Oil spill model uncertainty quantification using an atmospheric ensemble (Kampouris K., Vervatis V., Karagiorgos J., Sofianos S), In Ocean Science, volume 17, 2021. |
[17] | Evaluating the Forecast Skill of a Hydrometeorological Modelling System in Greece (George Varlas, Anastasios Papadopoulos, George Papaioannou, and Elias Dimitriou), In Atmosphere, volume 12, 2021. |
[16] | Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments (Christos Lamprakis, Ioannis Andreadelis, John Manchester, Camilo Velez-Vega, José S. Duca, Zoe Cournia), In J. Chem. Theory Comput., volume 17, 2021. |
[15] | Effects of Structural Dynamics on Charge Carrier Transfer in B‑DNA: A Combined MD and RT-TDDFT Study (Marilena Mantela, Andreas Morphis, Konstantinos Lambropoulos, Constantinos Simserides, Rosa Di Felice), In The Journal of Physical Chemistry B, volume 125, 2021. |
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[13] | Investigating sea-state effects on flash flood hydrograph and inundation forecasting (George Papaioannou, George Varlas, Anastasios Papadopoulos, Antanasios Loukas, Petros Katsafados, Elias Dimitriou), In Hydrological Processes, volume 35, 2021. |
[12] | The first multi‑model ensemble of regional climate simulations at kilometer‑scale resolution, part I: evaluation of precipitation (Ban N. et al), In Climate Dynamics, 2021. |
[11] | Evolving graph convolutional networks for neural architecture search (Kyriakides George, Margaritis Konstantinos), In Neural Computing and Applications, 2021. |
[10] | Large Eddy Simulation of low Reynolds number turbulent hydrogen jets - Modelling considerations and comparison with detailed experiments (I.C. Tolias, A.A. Kanaev, N. Koutsourakis, V.Y. Glotov, A.G. Venetsanos), In International Journal of Hydrogen Energy, volume 46, 2021. |
[9] | Assessment of a regional physical-biogeochemical stochastic ocean model. Part 1: ensemble generation (Vervatis V.D., De Mey-Frémaux P., Ayoub N., Karagiorgos J., Ghantous M., Kailas M., Testut C.-E., Sofianos S.), In Ocean Modell., volume 160, 2021. |
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[7] | Impact of Oxygen on the Properties of Cu3N and Cu3–xN1–xOx (Matthew Zervos, Andreas Othonos, Theodore Pavloudis, Stefanos Giaremis, Joseph Kioseoglou, Kalliopi Mavridou, Maria Katsikini, Fani Pinakidou, Eleni C Paloura), In J. Phys. Chem. C, 2021. |
[6] | Ab Initio Study of the Electron–Phonon Coupling in Ultrathin Al Layers (S Giaremis, Ph Komninou, Th Karakostas, J Kioseoglou), In J Low Temp Phys, 2021. |
[5] | Combining generative adversarial networks and agricultural transfer learning for weeds identification (Borja Espejo-Garcia, Nikos Mylonas, Loukas Athanasakos, Eleanna Vali and Spyros Fountas), In Biosystems Engineering, volume 204, 2021. |
[4] | Bifurcations and instability mechanisms in rotor systems generated by non-linear bearings of complex design and elastic pedestals (Anastasopoulos Lysandros, Chasalevris Athanasios), In SIRM 2021 - 14th International Conference in Dynamics of Rotating Machinery, 2021. |
[3] | The Saharan convective boundary layer structure over large scale surface heterogeneity: A large eddy simulation study (Georgios Papangelis, Maria Tombrou, John Kalogiros), In Atmospheric Research, volume 248, 2021. |
[2] | NanoMaterialsCAD: Flexible Software for the Design of Nanostructures (G Nikoulis, P Grammatikopoulos, S Steinhauer, J Kioseoglou), In Advanced Theory and Simulations, 2021. |
[1] | Micellization through complexation of oppositely charged diblock copolymers: Effects of composition, polymer architecture, salt of different valency, and thermoresponsive block (Christos Gioldasis, Leonidas N. Gergidis, Costas Vlahos), In Journal of Polymer Science, volume , 2021. |