Αποθετήριο Ήλιος
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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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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; Mavromoustakos, Thomas; Chronakis, Nikos; Papadopoulos, Manthos G.
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2012On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library. 3. Focus on ion trap and upfront CIDOberacher, Herbert; Pitterl, Florian; Siapi, Eleni; Steele, Barry R.; Letzel, Thomas; Grosse, Sylvia; Poschner, Bernhard; Tagliaro, Franco; Gottardo, Rossella; Chacko, Silvi A.; Josephs, Jonathan L.
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2012Synthesis of novel sulfonamide-1,2,4-triazoles, 1,3,4-thiadiazoles and 1,3,4-oxadiazoles, as potential antibacterial and antifungal agents. Biological evaluation and conformational analysis studiesZoumpoulakis, Panagiotis; Camoutsis, Ch.; Pairas, G.; Sokovic, M.; Glamoclija, J.; Potamitis, C.; Pitsas, A.
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2008Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptorsDurdagi, Serdar; Reis, Heribert; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
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2008A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitisMantzourani, Efthimia D.; Blokar, Klemen; Tselios, Theodore V.; Matsoukas, John M.; Platts, James A.; Mavromoustakos, Thomas; Grdadolnik, Simona Golic
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2010Conformational Analysis of Aliskiren, a Potent Renin Inhibitor, in Solution using NMR and Molecular DynamicsMatsoukas, M. T.; Zoumpoulakis, Panagiotis; Tselios, T.
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2006Indirubin and indigo analogues as potential inhibitors of glycogenolysis: structural basis of glycogen phosphorylase inhibitionOikonomakos, Nikos G.; Kosmopoulou, Magda N.; Leonidas, Demetres D.; Chrysina, Evangelia D.; Tiraidis, Costas; Bischler, Nicolas; Tsitsanou, Katerina E.; Zographos, Spyros E.; Kostas, Ioannis D.; Eisenbrand, Gerhard
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2008Sulfonamide-1,2,4-triazole derivatives as antifungal and antibacterial agents: Synthesis, biological evaluation, lipophilicity, and conformational studiesEzabadi, Raj Rahavi; Camoutsis, Charalabos; Zoumpoulakis, Panagiotis; Geronikaki, Athina; Sokovic, Marina; Glamocilija, Jasmina; Ciric, Ana
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2010Synthesis, Evaluation And Conformational Solution Studies Of Cysteine-Based A4 beta 1 Integrin LigandsCordopatis, A.; Daletos, G.; Magafa, V.; Lamprou, M.; Papadimitriou, E.; Zoumpoulakis, Panagiotis; Zervou, Maria; Assimomytis, N.; Geronikaki, A.
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2008New synthetic seven-membered 1-azasugars displaying potent inhibition towards glycosidases and glucosylceramide transferaseLi, Hongqing; Liu, Tao; Zhang, Yongmin; Favre, Sylvain; Bello, Claudia; Vogel, Pierre; Butters, Terry D.; Oikonomakos, Nikos G.; Marrot, Jerome; Bleriot, Yves
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