Paraskevi Gkeka
Paraskevi Gkeka
Sanofi-Aventis
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα sanofi.com
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Membrane protein structure, function, and dynamics: a perspective from experiments and theory
Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ...
The Journal of membrane biology 248 (4), 611-640, 2015
1032015
Allostery in its many disguises: from theory to applications
SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ...
Structure 27 (4), 566-578, 2019
962019
Structure and phase transformations of DPPC lipid bilayers in the presence of nanoparticles: insights from coarse-grained molecular dynamics simulations.
JPP Ramalho, P Gkeka, L Sarkisov
Langmuir 27 (7), 3723-3730, 2011
862011
Homogeneous hydrophobic–hydrophilic surface patterns enhance permeation of nanoparticles through lipid membranes
P Gkeka, L Sarkisov, P Angelikopoulos
The journal of physical chemistry letters 4 (11), 1907-1912, 2013
692013
DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
Y Wang, P Gkeka, JE Fuchs, KR Liedl, Z Cournia
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (11), 2846-2857, 2016
602016
Investigating the structure and dynamics of the PIK3CA wild-type and H1047R oncogenic mutant
P Gkeka, T Evangelidis, M Pavlaki, V Lazani, S Christoforidis, B Agianian, ...
PLoS Comput Biol 10 (10), e1003895, 2014
602014
Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion
P Gkeka, P Angelikopoulos, L Sarkisov, Z Cournia
PLoS Comput Biol 10(12), e1003917, 2014
562014
Interactions of phospholipid bilayers with several classes of amphiphilic α-helical peptides: insights from coarse-grained molecular dynamics simulations
P Gkeka, L Sarkisov
The journal of physical chemistry B 114 (2), 826-839, 2010
522010
Self-assembly of anionic, ligand-coated nanoparticles in lipid membranes
P Angelikopoulos, L Sarkisov, Z Cournia, P Gkeka
Nanoscale, 1040-1048, 2016
372016
Free energy calculations reveal the origin of binding preference for aminoadamantane blockers of influenza A/M2TM pore
P Gkeka, S Eleftheratos, A Kolocouris, Z Cournia
Journal of chemical theory and computation 9 (2), 1272-1281, 2013
362013
Spontaneous formation of a barrel-stave pore in a coarse-grained model of the synthetic LS3 peptide and a DPPC lipid bilayer
P Gkeka, L Sarkisov
The Journal of Physical Chemistry B 113 (1), 6-8, 2009
242009
Exploring a non-ATP pocket for potential allosteric modulation of PI3Kα
P Gkeka, A Papafotika, S Christoforidis, Z Cournia
The Journal of Physical Chemistry B 119 (3), 1002-1016, 2015
202015
Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems
P Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ...
Journal of Chemical Theory and Computation 16 (8), 4757-4775, 2020
182020
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM
H Ioannidis, A Drakopoulos, C Tzitzoglaki, N Homeyer, F Kolarov, ...
J. Chem. Inf. Model., 2016
182016
The role of patterned hydrophilic domains in nanoparticle-membrane interactions
P Gkeka, P Angelikopoulos
Current Nanoscience 7 (5), 690-698, 2011
152011
Phase Diagram of a Stratum Corneum Lipid Mixture
M Podewitz, Y Wang, P Gkeka, S von Grafenstein, KR Liedl, Z Cournia
The Journal of Physical Chemistry B 122 (46), 10505-10521, 2018
52018
Drug-Membrane Interactions in the Renin Angiotensin System
D Ntountaniotis, TF Kellici, P Gkeka, Z Cournia, I Galdadas, G Mali, ...
Thermodynamics and Biophysics of Biomedical Nanosystems, 339-364, 2019
42019
Enhancing the effectiveness of virtual screening by using the ChemBioServer: Application to the discovery of PI3Kα inhibitors
P Gkeka, E Athanasiadis, G Spyrou, Z Cournia
2012 IEEE 12th International Conference on Bioinformatics & Bioengineering …, 2012
42012
Effect of 5-trans isomer of arachidonic acid on model liposomal membranes studied by a combined simulation and experimental approach
I Tremi, D Anagnostopoulos, E Spyratou, P Gkeka, AG Georgakilas, ...
The Journal of membrane biology 251 (3), 475-489, 2018
22018
Exercise Training Attenuates the Development of Cardiac Autonomic Dysfunction in Diabetic Rats
I NAKOS, NPE KADOGLOU, P GKEKA, AT TZALLAS, N GIANNAKEAS, ...
In vivo 32 (6), 1433-1441, 2018
12018
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