Browsing by Author "Papadopoulos, G. E."
Now showing items 1-4 of 4
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Detailed study of the dielectric function of a lysozyme solution studied with molecular dynamics simulations
Floros, S.; Liakopoulou-Kyriakides, M.; Karatasos, K.; Papadopoulos, G. E. (2015)The spread of microwave technology and new microwave applications in medicine have revitalized interest in the dielectric behavior of biological systems. In this work, the Fröhlich–Kirkwood approach and the linear response ... -
SP-Dock: Protein-Protein Docking Using Shape and Physicochemical Complementarity
Axenopoulos, A.; Daras, P.; Papadopoulos, G. E.; Houstis, E. N. (2013)In this paper, a framework for protein-protein docking is proposed, which exploits both shape and physicochemical complementarity to generate improved docking predictions. Shape complementarity is achieved by matching local ... -
Structural properties and interaction energies affecting drug design. An approach combining molecular simulations, statistics, interaction energies and neural networks
Ioannidis, D.; Papadopoulos, G. E.; Anastassopoulos, G.; Kortsaris, A.; Anagnostopoulos, K. (2015)In order to elucidate some basic principles for protein-ligand interactions, a subset of 87 structures of human proteins with their ligands was obtained from the PDB databank. After a short molecular dynamics simulation ... -
Synthesis and Evaluation of Chloramphenicol Homodimers: Molecular Target, Antimicrobial Activity, and Toxicity against Human Cells
Kostopoulou, O. N.; Magoulas, G. E.; Papadopoulos, G. E.; Mouzaki, A.; Dinos, G. P.; Papaioannou, D.; Kalpaxis, D. L. (2015)As fight against antibiotic resistance must be strengthened, improving old drugs that have fallen in reduced clinical use because of toxic side effects and/or frequently reported resistance, like chloramphenicol (CAM), is ...