| Hydrogen bonding in 1-butyl-and 1-ethyl-3-methylimidazolium chloride ionic liquids I Skarmoutsos, D Dellis, RP Matthews, T Welton, PA Hunt The journal of physical chemistry B 116 (16), 4921-4933, 2012 | 166 | 2012 |
| DIANA-miRGen v3. 0: accurate characterization of microRNA promoters and their regulators G Georgakilas, IS Vlachos, K Zagganas, T Vergoulis, ... Nucleic acids research 44 (D1), D190-D195, 2016 | 62 | 2016 |
| The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study I Skarmoutsos, D Dellis, J Samios The Journal of Physical Chemistry B 113 (9), 2783-2793, 2009 | 46 | 2009 |
| Temperature effects on the structure and dynamics of liquid dimethyl sulfoxide: A molecular dynamics study M Chalaris, S Marinakis, D Dellis Fluid phase equilibria 267 (1), 47-60, 2008 | 41 | 2008 |
| Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2 I Skarmoutsos, D Dellis, J Samios The Journal of chemical physics 126 (22), 2007 | 41 | 2007 |
| NanoCrystal: A web-based crystallographic tool for the construction of nanoparticles based on their crystal habit A Chatzigoulas, K Karathanou, D Dellis, Z Cournia Journal of chemical information and modeling 58 (12), 2380-2386, 2018 | 40 | 2018 |
| Molecular force field investigation for Sulfur Hexafluoride: A computer simulation study D Dellis, J Samios Fluid phase equilibria 291 (1), 81-89, 2010 | 40 | 2010 |
| Pressure and temperature dependence of the hydrogen bonding in supercritical ethanol: A computer simulation study D Dellis, M Chalaris, J Samios The Journal of Physical Chemistry B 109 (39), 18575-18590, 2005 | 40 | 2005 |
| Biological and computational evaluation of resveratrol inhibitors against Alzheimer’s disease C Koukoulitsa, C Villalonga-Barber, R Csonka, X Alexi, G Leonis, D Dellis, ... Journal of enzyme inhibition and medicinal chemistry 31 (1), 67-77, 2016 | 38 | 2016 |
| Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2 C Athanasiou, S Vasilakaki, D Dellis, Z Cournia Journal of computer-aided molecular design 32 (1), 21-44, 2018 | 29 | 2018 |
| ChemBioServer 2.0: an advanced web server for filtering, clustering and networking of chemical compounds facilitating both drug discovery and repurposing E Karatzas, JE Zamora, E Athanasiadis, D Dellis, Z Cournia, GM Spyrou Bioinformatics 36 (8), 2602-2604, 2020 | 28 | 2020 |
| FEPrepare: A web-based tool for automating the setup of relative binding free energy calculations S Zavitsanou, A Tsengenes, M Papadourakis, G Amendola, ... Journal of Chemical Information and Modeling 61 (9), 4131-4138, 2021 | 16 | 2021 |
| The sequence [EKRKI (E/R)(K/L/R/S/T)] is a nuclear localization signal for importin 7 binding (NLS7) AA Panagiotopoulos, C Polioudaki, SG Ntallis, D Dellis, G Notas, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1865 (5), 129851, 2021 | 16 | 2021 |
| Solvation Structure and Dynamics of cis- and trans-1,2 Dichloroethene Isomers in Supercritical Carbon Dioxide. A Molecular Dynamics Simulation Study. D Dellis, I Skarmoutsos, J Samios The Journal of Physical Chemistry B 115 (42), 12098-12107, 2011 | 14 | 2011 |
| Conformational and solvation studies via computer simulation of the novel large scale diastereoselectively synthesized phosphinic MMP inhibitor RXP03 diluted in selected solvents M Matziari, D Dellis, V Dive, A Yiotakis, J Samios The Journal of Physical Chemistry B 114 (1), 421-428, 2010 | 12 | 2010 |
| Molecular simulations of benzene and hexafluorobenzene using new optimized effective potential models: Investigation of the liquid, vapor–liquid coexistence and supercritical … D Dellis, I Skarmoutsos, J Samios Journal of Molecular Liquids 153 (1), 25-30, 2010 | 9 | 2010 |
| Density dependent structural properties of dilute mixtures of OCS with argon. A molecular dynamics investigation J Samios, D Dellis, H Stassen Chemical physics 178 (1-3), 83-92, 1993 | 8 | 1993 |
| Solvation and catalyst–substrate superstructure of a tungsten tris (dithiolene) complex dissolved in water–acetone A molecular dynamics model calculation J Samios, D Katakis, D Dellis, E Lyris, CA Mitsopoulou Journal of the Chemical Society, Faraday Transactions 94 (20), 3169-3175, 1998 | 7 | 1998 |
| Dynamical properties of carbonyl sulphide diluted in argon at different densities. A molecular dynamics investigation D Dellis, J Samios Chemical physics 192 (3), 281-294, 1995 | 6 | 1995 |
| An investigation of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixtures D Dellis, J Samios, B Collet, H Versmold, J Kłos, S Marinakis Journal of Molecular Liquids 245, 42-51, 2017 | 3 | 2017 |
