Browsing by Author "Doruker, Pemra"
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Blind Dockings of Benzothiazoles to Multiple Receptor Conformations of Triosephosphate Isomerase from Trypanosoma cruzi and Human
Kurkcuoglu, Zeynep; Ural, Gulgun; Akten, Ebru Demet; Doruker, Pemra (Wiley-VCH Verlag GmbH, 2011)We aim to uncover the binding modes of benzothiazoles which have been reported as specific inhibitors of triosephosphate isomerase from the parasite Trypanosoma cruzi (TcTIM) by performing blind dockings on both TcTIM and ... -
A Docking Study Using Atomistic Conformers Generated via Elastic Network Model for Cyclosporin A/Cyclophilin A Complex
Akten, Ebru Demet; Cansu, Sertan; Doruker, Pemra (Taylor & Francis Inc, 2009)Anisotropic network model is used to generate a set of distinct conformations for cylophilin A (CypA). The native structure is deformed to different extents along each of the lowest-frequency modes (first 7 modes) both in ... -
Docking-based virtual screening for potential activity against bacterial pyruvate kinase
Ergün, Çağla; Akten, Ebru Demet; Doruker, Pemra (Springer, 2017)[Abstract Not Available] -
Effect of intracellular loop 3 on intrinsic dynamics of human 2-adrenergic receptor
Ozcan, Ozer; Uyar, Arzu; Doruker, Pemra; Akten, Ebru Demet (Bmc, 2013)Background: To understand the effect of the long intracellular loop 3 (ICL3) on the intrinsic dynamics of human beta(2)-adrenergic receptor, molecular dynamics (MD) simulations were performed on two different models, both ... -
How an Inhibitor Bound to Subunit Interface Alters Triosephosphate Isomerase Dynamics
Kürkçüoğlu, Zeynep; Fındık, Doğa; Akdoğan, Ebru Demet; Doruker, Pemra (Cell Press, 2015)The tunnel region at triosephosphate isomerase (TIM)'s dimer interface distant from its catalytic site is a target site for certain benzothiazole derivatives that inhibit TIM's catalytic activity in Trypanosoma cruzi the ... -
Investigation of allosteric communication pathways in human beta 2-adrenergic receptor
Akdaş, Başak; Kürkçüoğlu, Özge; Doruker, Pemra; Akten, Ebru Demet (Wiley-Blackwell, 2015)[Abstract Not Available] -
Investigation of Allosteric Coupling in Human Beta(2)-Adrenergic Receptor in the Presence of Intracellular Loop 3
Özgür, Canan; Doruker, Pemra; Akten, Ebru Demet (BMC, 2016)Background: This study investigates the allosteric coupling that exists between the intra- and extracellular parts of human beta(2)-adrenergic receptor (beta(2)-AR) in the presence of the intracellular loop 3 (ICL3) which ... -
Investigation of intrinsic dynamics and allosteric coupling in human beta 2-adrenergic receptor
Özcan, Özer; Özgür, Canan; Doruker, Pemra; Akten, Ebru Demet (Springer, 2017)[Abstract Not Available] -
Ligand-binding affinity of alternative conformers of human beta(2)-adrenergic receptor in the presence of intracellular loop 3 (ICL3) and their potential use in virtual screening studies
Dilcan, Gonca; Doruker, Pemra; Akten, Ebru Demet (Wiley, 2019)This study investigates the structural distinctiveness of orthosteric ligand-binding sites of several human beta(2) adrenergic receptor (beta(2)-AR) conformations that have been obtained from a set of independent molecular ...