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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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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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2011Conformational analysis of the MBP(83-99) (Phe(91)) and MBP(83-99) (Tyr(91)) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular DynamicsPotamitis, C.; Matsoukas, M. -T.; Tselios, T.; Mavromoustakos, Thomas; Grdadolnik, S. Golic
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2011On the Stability, Electronic Structure, and Nonlinear Optical Properties of HXeOXeF and FXeOXeFAvramopoulos, Aggelos; Li, Jiabo; Holzmann, Nicole; Frenking, Gernot; Papadopoulos, Manthos G.
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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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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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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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2011A fraction of the transcription factor TAF15 participates in interactions with a subset of the spliceosomal U1 snRNP complexLeichter, Michael; Marko, Marija; Ganou, Vassiliki; Patrinou-Georgoula, Meropi; Tora, Laszlo; Guialis, Apostolia
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2012Thermal, dynamic and structural properties of drug AT(1) antagonist olmesartan in lipid bilayers (vol 1808, pg 2995, 2011)Ntountaniotis, Dimitrios; Mali, Gregor; Grdadolnik, Simona Golic; Halabalaki, Maria; Skaltsounis, Alexios-Leandros; Potamitis, Constantinos; Siapi, Eleni; Chatzigeorgiou, Petros; Rappolt, Michael; Mavromoustakos, Thomas
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