Browse Helios by "NHRF Author"
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Showing results 21 to 40 of 208
DateTitleAuthor(s)Full text
2009Application of 3D QSAR CoMFA/CoMSIA and in silico docking studies on novel renin inhibitors against cardiovascular diseasesPoliti, Aggeliki; Durdagi, Serdar; Moutevelis-Minakakis, Panagiota; Kokotos, George; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
2009PLS Analysis for Antibacterial Activity of Natural Coumarins Using VolSurf DescriptorsKoukoulitsa, Catherine; Tsantili-Kakoulidou, Anna; Mavromoustakos, Thomas; Chinou, Ioanna
2009Nanoscale processes during the interaction of aluminosilicate and carbonate mineral surfaces with acid mine drainage (AMD)Kollias, K.; Godelitsas, A.; Astilleros, J. M.; Ladas, S.; Kennou, S.; Potamitis, C.; Zervou, M.; Lagoyiannis, A.; Harissopulos, S.; Mavromoustakos, Th.
2009In Silico Drug Screening Approach for the Design of Magic Bullets: A Successful Example with Anti-HIV Fullerene Derivatized Amino AcidsDurdagi, Serdar; Supuran, Claudiu T.; Strom, T. Amanda; Doostdar, Nadjmeh; Kumar, Mananjali K.; Barron, Andrew R.; Mavromoustakos, Thomas; Papadopoulos, Manthos G.
2009Development of a CP P-31 NMR Broadline Simulation Methodology for Studying the Interactions of Antihypertensive AT(1) Antagonist Losartan with Phospholipid BilayersFotakis, Charalambos; Christodouleas, Dionisios; Chatzigeorgiou, Petros; Zervou, Maria; Benetis, Nikolas-Ploutarch; Viras, Kyriakos; Mavromoustakos, Thomas
2009Antihypertensive Drug Valsartan in Solution and at the AT(1) Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics SimulationsPotamitis, Constantinos; Zervou, Maria; Katsiaras, Vassilis; Zoumpoulakis, Panagiotis; Durdagi, Serdar; Papadopoulos, Manthos G.; Hayes, Joseph M.; Grdadolnik, Simona Golic; Kyrikou, Ioanna; Argyropoulos, Dinutris; Vatougia, Georgia; Mavromoustakos, Thomas
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.
20083D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitorsDurdagi, Serdar; Mavromoustakos, Thomas; Papadopoulos, Manthos G.
20083D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen MustardsKapou, Agnes; Benetis, Nikolas-P.; Durdagi, Serdar; Nikolaropoulos, Sotiris; Mavromoustakos, Thomas
2008Comparative docking studies of labdane-type diterpenes with forskolin at the active site of adenylyl cyclaseKoukoulitsa, Catherine; Zervou, Maria; Demetzos, Costas; Mavromoustakos, Thomas
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
2008Ficus sycomorus sap: a psoralene source with potential for the treatment of psoriasisMavromoustakos, T.; Petrou, C.; Kokkalou, E.; Roussis, V; Christofi, V; Efthimiou, G.; Potamitis, C.; Durdagi, S.; Mavromoustakos, S.
2008Delving into the complex picture of Ti(IV)-citrate speciation in aqueous media: Synthetic, structural, and electrochemical considerations in mononuclear Ti(IV) complexes containing variably deprotonated citrate ligandsPanagiotidis, Panagiotis; Kefalas, Evangelos T.; Raptopoulou, Catherine P.; Terzis, Aris; Mavromoustakos, Thomas; Salifoglou, Athanasios
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 M.; Grdadolnik, Simona Golic
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
2007The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2Durdagi, S.; Kapou, A.; Kourouli, T.; Andreou, T.; Nikas, S. P.; Nahmias, V. R.; Papahatjis, Demetris P.; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
2007Conformational analysis of AT1 antagonist valsartan using 2DNMR spectroscopy and computational analysis: determination of thermodynamic parameters through dynamic NMR spectroscopy and semi-empirical calculationsPotamitis, C.; Reis, Heribert; Zervou, Maria; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
2007NMR spectroscopy: a valuable tool in the weaponry of medicinal chemistryMavromoustakos, Thomas; Zervou, Maria; Zoumpoulakis, Panagiotis
2007Molecular dynamics at the receptor level of immunodominant myelin basic protein epitope 87-99 implicated in multiple sclerosis and its antagonists altered peptide ligands: Triggering of immune responseMantzourani, E. D.; Platts, J. A.; Brancale, A.; Mavromoustakos, Thomas; Tselios, T. V.
2007Putative bioactive conformers of small molecules: A concerted approach using NMR spectroscopy and computational chemistryMavromoustakos, Thomas; Zervou, Maria; Zoumpoulakis, Panagiotis; Potamitis, C.; Katsiaras, V.; Politi, A.; Mantzourani, E.; Durdagi, S.; Koukoulitsa, C.
Showing results 21 to 40 of 208


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