Αποθετήριο Ήλιος
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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2009Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3Luis, Josep M.; Reis, Heribert; Papadopoulos, Manthos G.; Kirtman, Bernard
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2009Linear and nonlinear optical properties of a series of Ni-dithiolene derivativesSerrano-Andres, Luis; Avramopoulos, Aggelos; Li, Jiabo; Labeguerie, Pierre; Begue, Didier; Kelloe, Vladimir; Papadopoulos, Manthos G.
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2010Synthesis and non-linear optical properties of some novel nickel derivativesSoras, G.; Psaroudakis, N.; Mousdis, George A.; Manos, M. J.; Tasiopoulos, A. J.; Aloukos, P.; Couris, S.; Labeguerie, P.; Lipinski, J.; Avramopoulos, A.; Papadopoulos, Manthos G.
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2011Thermal, dynamic and structural properties of drug AT(1) antagonist olmesartan in lipid bilayersNtountaniotis, Dimitrios; Mali, Gregor; Grdadolnik, Simona Golic; Maria, Halabalaki; Skaltsounis, Alexios-Leandros; Potamitis, Constantinos; Siapi, Eleni; Chatzigeorgiou, Petros; Rappolt, Michael; Mavromoustakos, Thomas
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2011Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systemsKirtman, Bernard; Lacivita, Valentina; Dovesi, Roberto; Reis, Heribert
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2011Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examinedHayes, Joseph M.; Skamnaki, Vicky T.; Archontis, Georgios; Lamprakis, Christos; Sarrou, Josephine; Bischler, Nicolas; Skaltsounis, Alexios-Leandros; Zographos, Spyros E.; Oikonomakos, Nikos G.
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2008Interactions of the dipeptide paralysin beta-Ala-Tyr and the aminoacid Glu with phospholipid bilayersKyrikou, Loanna; Benetis, Nikolas P.; Chatzigeorgiou, Petros; Zervou, Maria; Viras, Kyriakos; Poulos, Constantine; Mavromoustakos, Thomas
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2005Exploration of conformational space of linear EAE antagonist [Arg(,)(91) Ala(96)] MBP87-99 and proposal of a putative bioactive conformation in DMSO-d(6).Mantzourani, E. D.; Tselios, T. V.; Golic-Grdadolnik, S.; Matsoukas, J. M.; Brancale, A.; Platts, J. A.; Mavromoustakos, Thomas
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2010On the Electronic Structure of H-Ng-Ng-F (Ng = Ar, Kr, Xe) and the Nonlinear Optical Properties of HXe2FAvramopoulos, A.; Serrano-Andres, L.; Li, J.; Papadopoulos, Manthos G.
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2011Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculationsTzoupis, Haralambos; Leonis, Georgios; Durdagi, Serdar; Mouchlis, Varnavas; Mavromoustakos, Thomas; Papadopoulos, Manthos G.
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