Atomistic simulations of CO2 and N2 adsorption in silica zeolites: the impact of pore size and shape A Goj, DS Sholl, ED Akten, D Kohen The Journal of Physical Chemistry B 106 (33), 8367-8375, 2002 | 277 | 2002 |
Monte Carlo Simulation of Single- and Binary-Component Adsorption of CO2, N2, and H2 in Zeolite Na-4A ED Akten, R Siriwardane, DS Sholl Energy & Fuels 17 (4), 977-983, 2003 | 210 | 2003 |
Monte Carlo simulation of head-to-head, tail-to-tail polypropylene and its mixing with polyethylene in the melt ED Akten, WL Mattice Macromolecules 34 (10), 3389-3395, 2001 | 60 | 2001 |
A docking study using atomistic conformers generated via elastic network model for cyclosporin A/cyclophilin A complex ED Akten, S Cansu, P Doruker Journal of Biomolecular Structure and Dynamics 27 (1), 13-25, 2009 | 44 | 2009 |
Effect of intracellular loop 3 on intrinsic dynamics of human β2-adrenergic receptor O Ozcan, A Uyar, P Doruker, ED Akten BMC structural biology 13, 1-17, 2013 | 42 | 2013 |
How an inhibitor bound to subunit interface alters triosephosphate isomerase dynamics Z Kurkcuoglu, D Findik, ED Akten, P Doruker Biophysical Journal 109 (6), 1169-1178, 2015 | 29 | 2015 |
In silico design of novel and highly selective lysine-specific histone demethylase inhibitors ED Akdogan (Akten), B Erman, K Yelekci TURKISH JOURNAL OF CHEMISTRY 35 (4), 523-542, 2011 | 28 | 2011 |
Investigation of allosteric coupling in human β2-adrenergic receptor in the presence of intracellular loop 3 C Ozgur, P Doruker, ED Akten BMC structural biology 16, 1-13, 2016 | 22 | 2016 |
Identification of alternative allosteric sites in glycolytic enzymes for potential use as species-specific drug targets M Ayyildiz, S Celiker, F Ozhelvaci, ED Akten Frontiers in Molecular Biosciences 7, 88, 2020 | 18 | 2020 |
Blind Dockings of Benzothiazoles to Multiple Receptor Conformations of Triosephosphate Isomerase from Trypanosoma cruzi and Human Z Kurkcuoglu, G Ural, E Demet Akten, P Doruker Molecular Informatics 30 (11‐12), 986-995, 2011 | 14 | 2011 |
Understanding protein dynamics, binding and allostery for drug design G Hu, P Doruker, H Li, E Demet Akten Frontiers in molecular biosciences 8, 681364, 2021 | 9 | 2021 |
Ligand‐binding affinity of alternative conformers of human β2‐adrenergic receptor in the presence of intracellular loop 3 (ICL3) and their potential use in virtual … G Dilcan, P Doruker, ED Akten Chemical Biology & Drug Design 93 (5), 883-899, 2019 | 9 | 2019 |
Structural analysis of peptide fragments following the hydrolysis of bovine serum albumin by trypsin and chymotrypsin İE Özyiğit, ED Akten, Ö Pekcan Journal of Biomolecular Structure and Dynamics 34 (5), 1092-1100, 2016 | 9 | 2016 |
Discovery of high affinity ligands for β2-adrenergic receptor through pharmacophore-based high-throughput virtual screening and docking R Yakar, ED Akten Journal of Molecular Graphics and Modelling 53, 148-160, 2014 | 9 | 2014 |
Molecular docking study based on pharmacophore modeling for novel phosphodiesteraseiv inhibitors G Çifci, V Aviyente, ED Akten Molecular Informatics 31 (6‐7), 459-471, 2012 | 8 | 2012 |
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and pyruvate kinase M Celebi, T Inan, O Kurkcuoglu, ED Akten Biophysical Chemistry 280, 106701, 2022 | 7 | 2022 |
Distinctive communication networks in inactive states of β2‐adrenergic receptor: Mutual information and entropy transfer analysis N Sogunmez, ED Akten Proteins: Structure, Function, and Bioinformatics 88 (11), 1458-1471, 2020 | 7 | 2020 |
Transmembrane helix 6 observed at the interface of β2AR homodimers in blind docking studies A Koroglu, ED Akten Journal of Biomolecular Structure and Dynamics 33 (7), 1503-1515, 2015 | 4 | 2015 |
Drug repositioning to propose alternative modulators for glucocorticoid receptor through structure-based virtual screening R Metin, ED Akten Journal of Biomolecular Structure and Dynamics 40 (21), 11418-11433, 2022 | 3 | 2022 |
Intrinsic Dynamics and Causality in Correlated Motions Unraveled in Two Distinct Inactive States of Human β2-Adrenergic Receptor N Sogunmez, ED Akten The Journal of Physical Chemistry B 123 (17), 3630-3642, 2019 | 3 | 2019 |