G. Melagraki & A. Afantitis Ligand and structure based virtual screening strategies for hit-finding and optimization of hepatitis C (HCV) inhibitors Curr. Med Chem. 2011 18(17) 2612-2619
·Afantitis, G. Melagraki, P.A. Koutentis, H. Sarimveis, G. Kollias. Ligand - based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen Maps and Counterpropagation Artificial Neural Networks, European Journal of Medicinal Chemistry 46 (2011) 497-508.
Georgia Melagraki, Antreas Afantitis, Andrey A. Toropov, Haralambos Sarimveis and Olga Igglessi-Markopoulou "QSAR models constructed by optimal descriptors and by multiple regression analysis for the prediction of carbonic anhydrase II inhibitory activity of substituted aromatic sulfonamides" Book Chapter: QSPR-QSAR Studies on Desired Properties for Drug Design ISBN 978-81-308-0404-0 ·
G. Melagraki, Α. Afantitis, H. Sarimveis, P.A. Koutentis, O. Igglessi – Markopoulou and G. Kollias "In Silico Exploration for Identifying Structure–Activity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives" Chemical Biology & Drug Design 2010; 76: 397–406
·Α. Afantitis, G. Melagraki, H. Sarimveis, P.A. Koutentis, O. Igglessi – Markopoulou and G. Kollias "A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogues" Molecular Diversity (2010) 14:225-235
·G. Melagraki, A. Afantitis, H. Sarimveis, P. A. Koutentis, G. Kollias and O. Igglessi-Markopoulou "Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors" 2009 Molecular Diversity Molecular Diversity 13 (3), pp. 301-311
·Α. Afantitis, G. Melagraki, H. Sarimveis, O. Igglessi – Markopoulou and G. Kollias "A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas" European Journal of Medicinal Chemistry Volume 44, Issue 2, February 2009, Pages 877-884
·Α. Afantitis, G. Melagraki, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi – Markopoulou "Development and Evaluation of a QSPR Model or the Prediction of Diamagnetic Susceptibility" QSAR Comb. Sci. 27, 2008, No. 4, 432 – 436
·G. Melagraki, Α. Afantitis, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi –Markopoulou "Identification of a series of novel derivatives as potent HCV inhibitors by a ligand – based virtual screening optimized procedure" Bioorganic & Medicinal Chemistry 2007 15 7237-7147 (Top 25 Hottest Articles October - December 2007) & (Top 25 Hottest Articles October - December 2008)
·G. Melagraki, Α. Afantitis, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi –Markopoulou "Optimization of Biaryl Piperidine and 4-Amino-2-biarylurea MCH1 Receptor Antagonists using QSAR Modeling, Classification Techniques and Virtual Screening", Journal of Computer-Aided Molecular Design 2007 21 251-267.
·G. Melagraki, Α. Afantitis, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi –Markopoulou "A novel QSPR model to predict θ (lower critical solution temperature) in polymer solutions using molecular descriptors" Journal of Molecular Modeling 2007 13 55-64
·Α. Afantitis, G. Melagraki, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi – Markopoulou "A Novel QSAR Model for Modeling and Predicting Induction of Apoptosis by 4-Aryl-4H-chromenes". Bioorganic and Medicinal Chemistry 2006 14, 6686-6694
·Α. Afantitis, G. Melagraki, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi – Markopoulou "Prediction of Intrinsic Viscosity in Polymer-Solvent Combinations using a QSPR model" Polymer 2006 47 3240-3248.
·Α. Afantitis, G. Melagraki, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi –Markopoulou “A Novel QSAR Model for Evaluating and Predicting the Inhibition of Dipeptidyl Aspartyl Fluoromethylketones” QSAR & Combinatorial Science 2006 25 928-935
·Α. Afantitis, G. Melagraki, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi – Markopoulou “Investigation of Substituent Effect of 1-(3,3-Diphenylpropyl) - Piperidinyl Phenylacetamides Amides on CCR5 Binding Affinity using QSAR and Virtual Screening Techniques” Journal of Computer-Aided Molecular Design 2006 20, 83-95. Highlighted by Drug Discovery Today: Technologies, Volume 3, Issue 4, Winter 2006, Pages 405-411 Advances in virtual screening: As recent success story
·G. Melagraki, Α. Αfantitis, H. Sarimveis, O. Igglessi –Markopoulou and C.T Supuran “QSAR study on para – substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices” Bioorganic and Medicinal Chemistry 2006 14 (4) 1108-1114. Most Cited Paper 2006-2009 Award (Pdf)
·Α. Afantitis, G. Melagraki, H. Sarimveis, O. Igglessi –Markopoulou, J. Markopoulos and P.A. Koutentis ‘A Novel Simple QSAR Model for the Prediction of anti-HIV Activity Using Multiple Linear Regression Analysis’ Molecular Diversity 2006 10, 405-414.
