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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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20083D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitorsDurdagi, Serdar; Mavromoustakos, Thomas; Papadopoulos, Manthos G.
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2012An effort to discover the preferred conformation of the potent AMG3 cannabinoid analog when reaching the active sites of the cannabinoid receptorsDurdagi, Serdar; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
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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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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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2008Ficus sycomorus sap: a psoralene source with potential for the treatment of psoriasisMavromoustakos, Thomas; Petrou, C.; Kokkalou, E.; Roussis, V; Christofi, V; Efthimiou, G.; Potamitis, C.; Durdagi, S.; Mavromoustakos, S.
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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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2010A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysisDurdagi, Serdar; Papadopoulos, Manthos G.; Zoumpoulakis, Panagiotis; Koukoulitsa, Catherine; Mavromoustakos, Thomas
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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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2011Docking and Molecular Dynamics Calculations of Pyrrolidinone Analog MMK16 Bound to COX and LOX EnzymesNeophytou, N.; Leonis, G.; Stavrinoudakis, N.; Simcic, M.; Grdadolnik, S. Golic; Papavassilopoulou, E.; Michas, G.; Moutevelis-Minakakis, P.; Papadopoulos, Manthos G.; Zing, M.; Mavromoustakos, Thomas
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