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 DOI : 10.1007/s11030-009-9163-7
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
G. Melagraki, Α. Afantitis, O. Igglessi-Markopoulou, Α. Detsi, Μ. Κoufaki, C. Kontogiorgis, D.J. Hatzipavlou-Litina ''Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel coumarin-3-aminoamides and their <alpha>-lipoic acid adducts" European Journal of Medicinal Chemistry 2009 Volume 44, Issue 7, Pages 3020-3026
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 20 83-95.
G. Melagraki, Α. Afantitis, H. Sarimveis, P.A. Koutentis, J. Markopoulos and O. Igglessi –Markopoulou "A novel QSPR model to predict è (lower critical solution temperature) in polymer solutions using molecular descriptors" Journal of Molecular Modeling 2007 13 55-64
Α. Detsi, D. Bouloumpasi, K. Proussis, Μ. Κoufaki., G. Athanasellis, G. Melagraki, A. Afantitis, O. Igglessi-Markopoulou, C. Contogiorgis, D. Hatzipavlou-Litina “Design and Synthesis of Novel Quinolinone-3-aminoamides and Their a-Lipoic Acid Adducts as Antioxidant and Anti-inflammatory Agents” Journal of Medicinal Chemistry 2007 50 (10) 2450-2458.
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. Athanasellis, G. Melagraki, A. Αfantitis, K. Makridima, O. Igglessi –Markopoulou. “Asimplesynthesisoffunctionalized 2-amino-3-cyano-4-chromonesbyapplyingtheN-Hydroxybenzotriazolemethodology” ARKIVOC2006 (X) 28-34.
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.
G. Melagraki, Α. Αfantitis, H. Sarimveis, O. Igglessi -Markopoulou, A. Alexandridis "A novel RBF neural network training methodology to predict toxicity to Vibrio Fischeri" Molecular Diversity 2006 10, 213-221.
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
G. Melagraki, Α. Αfantitis, K. Makridima, H. Sarimveis, O. Igglessi -Markopoulou, “Prediction of toxicity using a novel RBF neural network training methodology”. Journal of Molecular Modeling 2006 12, 297-305
A. Afantitis, G. Melagraki, K. Makridima, A. Alexandridis, H. Sarimveis, O. Igglessi-Markopoulou. “Prediction of High Weight Polymers Glass Transition Temperature Using RBF Neural Networks”, Journal of Molecular Structure: THEOCHEM 2005, 716, 193-198.
G. Athanasellis, G. Melagraki, H. Chatzidakis, A. Afantitis, A. Detsi, O. Igglessi-Markopoulou, J. Markopoulos “Novel Short-Step Synthesis of Functionalized γ-Phenyl-β-Hydroxybutenoates and their Cyclization to 4-Hydroxy Coumarins via the N-Hydroxybenzotriazole Methodology” Synthesis, 2004, 11, 1775-1782.
Anastasia Detsi, Antreas Afantitis, Giorgos Athanasellis, John Markopoulos, Olga Igglessi-Markopoulou and Chris-Kriton Skylaris. “Cyclisation of Novel Amino Oxo Esters to Tetramic Acids - Density Functional Theory Study of the Reaction Mechanism” European Journal of Organic Chemistry 2003, 23, 4593-4600.
