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The Biochemical Journal|September 6, 2021
Identification of first-in-class plasmodium OTU inhibitors with potent anti-malarial activityPinar Siyah, Sezer Akgol, Serdar Durdagi, et al.
Methods in Molecular Biology (Clifton, N.J.)|July 25, 2018
Application of Multiscale Simulation Tools on GPCRs. An Example with Angiotensin II Type 1 ReceptorIsmail Erol, Busecan Aksoydan, Isik Kantarcioglu, et al.
Journal of Chemical Information and Modeling|January 19, 2011
Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domainSerdar Durdagi, Henry J Duff, Sergei Yu Noskov
Computational and Structural Biotechnology Journal|March 4, 2022
Mechanistic insight into the impact of a bivalent ligand on the structure and dynamics of a GPCR oligomerSamman Mansoor, Gülru Kayık, Serdar Durdagi, et al.
Chemmedchem|March 24, 2024
Developing Dynamic Structure-Based Pharmacophore and ML-Trained QSAR Models for the Discovery of Novel Resistance-Free RET Tyrosine Kinase Inhibitors Through Extensive MD Trajectories and NRI AnalysisEhsan Sayyah, Lalehan Oktay, Huseyin Tunc, et al.
Frontiers in Molecular Biosciences|July 10, 2015
Structural modeling of the N-terminal signal-receiving domain of IκBαSamira Yazdi, Serdar Durdagi, Michael Naumann, et al.
Journal of Biomolecular Structure & Dynamics|January 2, 2023
Exploring the binding capacity of lactic acid bacteria derived bacteriocins against RBD of SARS-CoV-2 Omicron variant by molecular simulationsIsmail Erol, Seyfullah Enes Kotil, Fatih Ortakci, et al.
ACS Pharmacology & Translational Science|June 21, 2021
Hybrid In Silico and TR-FRET-Guided Discovery of Novel BCL-2 InhibitorsKader Sahin, Muge Didem Orhan, Timucin Avsar, et al.
ACS Chemical Neuroscience|April 20, 2018
Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of Their Therapeutic Activity, Pharmacokinetic and Toxicity PropertiesYusuf Serhat Is, Serdar Durdagi, Busecan Aksoydan, et al.
Bioorganic & Medicinal Chemistry|July 4, 2008
Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptorsSerdar Durdagi, Heribert Reis, Manthos G Papadopoulos, et al.
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