Browsing Araştırma Çıktıları / TR Dizin by KHAS Author "Akdoğan, Ebru Demet"
Exploring distinct binding site regions of beta(2)-adrenergic receptor via coarse-grained molecular dynamics simulations Authors:Cakan, Sibel; Akdoğan, Ebru Demet
Publisher and Date:(Scientific Technical Research Council Turkey-Tubitak, 2013)beta(2)-Adrenergic receptor (beta(2)AR) is a G protein-coupled receptor that is highly flexible and able to recognize a wide range of ligands through its conformational variations. Active and inactive conformations revealed by recent crystallographic experiments do not provide a complete dynamic picture of the receptor especially in the binding site. In this study molecular dynamics (MD) simulation through a residue-based coarse-grained model is used as an alternative and efficient method to explore ...
Authors:Akdoğan, Ebru Demet; Erman, Burak; Yelekçi, Kemal
Publisher and Date:(Scientific Technical Research Council Turkey-Tubitak, 2011)Histone lysine-specific demethylase (LSD1) is involved in a wide range of epigenetic processes and plays important roles in gene silencing DNA transcription DNA replication DNA repair and heterochromatin formation. Its active site shows a resemblance to those of 2 homologous enzymes monamine oxidase A and B (MAO-A and MAO-B.) In the present work starting from suitable scaffolds and generating thousands of structures from them 10 potential inhibitors were obtained with structural and physicochemical ...