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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2011Interactions of the AT(1) antagonist valsartan with dipalmitoyl-phosphatidylcholine bilayersPotamitis, C.; Chatzigeorgiou, P.; Siapi, Eleni; Viras, K.; Mavromoustakos, Thomas; Hodzic, A.; Pabst, G.; Cacho-Nerin, F.; Laggner, P.; Rappolt, M.
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2011Large Changes of Static Electric Properties Induced by Hydrogen Bonding: An ab Initio Study of Linear HCN OligomersGora, Robert W.; Zalesny, Robert; Zawada, Agnieszka; Bartkowiak, Wojciech; Skwara, Bartlomiej; Papadopoulos, Manthos G.; Silva, Daniel L.
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2010Interactions at the bilayer interface and receptor site induced by the novel synthetic pyrrolidinone analog MMK3Fotakis, C.; Gega, S.; Siapi, Eleni; Potamitis, C.; Viras, K.; Moutevelis-Minakakis, P.; Kokotos, C. G.; Durdagi, S.; Grdadolnik, S. Golic; Sartori, B.; Rappolt, M.; Mavromoustakos, Thomas
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2009Inhibitor design for ribonuclease A: the binding of two 5 '-phosphate uridine analoguesTsirkone, Vicky G.; Dossi, Kyriaki; Drakou, Christina; Zographos, Spyros E.; Kontou, Maria; Leonidas, Demetres D.
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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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2009The (hyper) polarizabilities of AuXeF and XeAuFHolka, F.; Avramopoulos, A.; Loboda, O.; Kelloe, V.; Papadopoulos, Manthos G.
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2010Theoretical investigations of the IR spectroscopy of Ni(C2S2H2)(2). A case study of the P_VMWCI2 algorithm including anharmonic effectsBegue, Didier; Labeguerie, Pierre; Zhang-Negrerie, Daisy Y.; Avramopoulos, Aggelos; Serrano-Andres, Luis; Papadopoulos, Manthos G.
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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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2011Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C-28Skwara, Bartlomiej; Gora, Robert W.; Zalesny, Robert; Lipkowski, Pawel; Bartkowiak, Wojciech; Reis, Heribert; Papadopoulos, Manthos G.; Luis, Josep M.; Kirtman, Bernard
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