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Showing results 1 to 11 of 11

DateTitleAuthor(s)Full text
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
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.
2011Comparison of thermal effects of stilbenoid analogs in lipid bilayers using differential scanning calorimetry and molecular dynamics: correlation of thermal effects and topographical position with antioxidant activityKoukoulitsa, Catherine; Durdagi, Serdar; Siapi, Eleni; Villalonga-Barber, Carolina; Alexi, Xanthippi; Steele, Barry R.; Micha-Screttas, Maria; Alexis, Michael N.; Tsantili-Kakoulidou, Anna; Mavromoustakos, Thomas
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 G.; Koukoulitsa, Catherine; Mavromoustakos, Thomas
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
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.
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 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
Showing results 1 to 11 of 11



 

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