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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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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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2011Strategies in the Rational Drug DesignMavromoustakos, Thomas; Durdagi, S.; Koukoulitsa, C.; Simcic, M.; Papadopoulos, Manthos G.; Hodoscek, M.; Grdadolnik, S. Golic
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2008Comparative docking studies of labdane-type diterpenes with forskolin at the active site of adenylyl cyclaseKoukoulitsa, Catherine; Zervou, Maria; Demetzos, Costas; Mavromoustakos, Thomas
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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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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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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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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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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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2011Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activityMoutevelis-Minakakis, Panagiota; Papavassilopoulou, Eleni; Michas, George; Georgikopoulou, Kalliopi; Ragoussi, Maria-Eleni; Neophytou, Niki; Zoumpoulakis, Panagiotis; Mavromoustakos, Thomas; Hadjipavlou-Litina, Dimitra
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