| Advances in de novo drug design: from conventional to machine learning methods VD Mouchlis, A Afantitis, A Serra, M Fratello, AG Papadiamantis, V Aidinis, ... International journal of molecular sciences 22 (4), 1676, 2021 | 216 | 2021 |
| Phospholipase A2 catalysis and lipid mediator lipidomics VD Mouchlis, EA Dennis Biochimica et Biophysica Acta (BBA)-Molecular and Cell Biology of Lipids …, 2019 | 119 | 2019 |
| Membranes serve as allosteric activators of phospholipase A2, enabling it to extract, bind, and hydrolyze phospholipid substrates VD Mouchlis, D Bucher, JA McCammon, EA Dennis Proceedings of the National Academy of Sciences 112 (6), E516-E525, 2015 | 107 | 2015 |
| Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR-and structure-based virtual screening approaches L Zhang, A Sedykh, A Tripathi, H Zhu, A Afantitis, VD Mouchlis, ... Toxicology and applied pharmacology 272 (1), 67-76, 2013 | 102 | 2013 |
| Review of four major distinct types of human phospholipase A2 AM Vasquez, VD Mouchlis, EA Dennis Advances in biological regulation 67, 212-218, 2018 | 90 | 2018 |
| Membrane allostery and unique hydrophobic sites promote enzyme substrate specificity VD Mouchlis, Y Chen, JA McCammon, EA Dennis Journal of the American Chemical Society 140 (9), 3285-3291, 2018 | 82 | 2018 |
| Computer-aided drug design of β-secretase, γ-secretase and anti-tau inhibitors for the discovery of novel Alzheimer’s therapeutics VD Mouchlis, G Melagraki, LC Zacharia, A Afantitis International journal of molecular sciences 21 (3), 703, 2020 | 62 | 2020 |
| Molecular modeling on pyrimidine-urea inhibitors of TNF-α production: an integrated approach using a combination of molecular docking, classification techniques, and 3D-QSAR CoMSIA VD Mouchlis, G Melagraki, T Mavromoustakos, G Kollias, A Afantitis Journal of chemical information and modeling 52 (3), 711-723, 2012 | 60 | 2012 |
| Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson–Boltzmann surface area calculations H Tzoupis, G Leonis, S Durdagi, V Mouchlis, T Mavromoustakos, ... Journal of computer-aided molecular design 25, 959-976, 2011 | 60 | 2011 |
| Development of Potent and Selective Inhibitors for Group VIA Calcium-Independent Phospholipase A2 Guided by Molecular Dynamics and Structure–Activity … VD Mouchlis, D Limnios, MG Kokotou, E Barbayianni, G Kokotos, ... Journal of medicinal chemistry 59 (9), 4403-4414, 2016 | 41 | 2016 |
| Insertion of the Ca2+-Independent Phospholipase A2 into a Phospholipid Bilayer via Coarse-Grained and Atomistic Molecular Dynamics Simulations D Bucher, YH Hsu, VD Mouchlis, EA Dennis, JA McCammon PLoS computational biology 9 (7), e1003156, 2013 | 41 | 2013 |
| Inhibition of secreted phospholipases A2 by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations VD Mouchlis, V Magrioti, E Barbayianni, N Cermak, RC Oslund, ... Bioorganic & medicinal chemistry 19 (2), 735-743, 2011 | 39 | 2011 |
| Molecular Docking and 3D-QSAR CoMFA Studies on Indole Inhibitors of GIIA Secreted Phospholipase A2 VD Mouchlis, TM Mavromoustakos, G Kokotos Journal of chemical information and modeling 50 (9), 1589-1601, 2010 | 39 | 2010 |
| Omega-3 versus Omega-6 fatty acid availability is controlled by hydrophobic site geometries of phospholipase A2s D Hayashi, VD Mouchlis, EA Dennis Journal of Lipid Research 62, 2021 | 37 | 2021 |
| Membrane and inhibitor interactions of intracellular phospholipases A2 VD Mouchlis, EA Dennis Advances in biological regulation 61, 17-24, 2016 | 32 | 2016 |
| Design of new secreted phospholipase A2 inhibitors based on docking calculations by modifying the pharmacophore segments of the FPL67047XX inhibitor VD Mouchlis, TM Mavromoustakos, G Kokotos Journal of computer-aided molecular design 24, 107-115, 2010 | 30 | 2010 |
| The application of rational design on phospholipase A2 inhibitors V D Mouchlis, E Barbayianni, T M Mavromoustakos, G Kokotos Current Medicinal Chemistry 18 (17), 2566-2582, 2011 | 27 | 2011 |
| Each phospholipase A2 type exhibits distinct selectivity toward sn-1 ester, alkyl ether, and vinyl ether phospholipids D Hayashi, VD Mouchlis, EA Dennis Biochimica et Biophysica Acta (BBA)-Molecular and Cell Biology of Lipids …, 2022 | 23 | 2022 |
| Computer-aided drug design guided by hydrogen/deuterium exchange mass spectrometry: A powerful combination for the development of potent and selective inhibitors of Group VIA … VD Mouchlis, C Morisseau, BD Hammock, S Li, JA McCammon, ... Bioorganic & medicinal chemistry 24 (20), 4801-4811, 2016 | 23 | 2016 |
| Binding Conformation of 2-Oxoamide Inhibitors to Group IVA Cytosolic Phospholipase A2 Determined by Molecular Docking Combined with Molecular Dynamics VD Mouchlis, V Michopoulou, V Constantinou-Kokotou, ... Journal of chemical information and modeling 52 (1), 243-254, 2012 | 23 | 2012 |
