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Journal Articles
- 2022
[j15]Busecan Aksoydan
, Serdar Durdagi:
Molecular simulations reveal the impact of RAMP1 on ligand binding and dynamics of calcitonin gene-related peptide receptor (CGRPR) heterodimer. Comput. Biol. Medicine 141: 105130 (2022)- 2021
- [j14]Aida Shahraki, Ali Isbilir, Berna Dogan, Martin J. Lohse, Serdar Durdagi, Necla Birgul-Iyison:
Structural and Functional Characterization of Allatostatin Receptor Type-C of Thaumetopoea pityocampa, a Potential Target for Next-Generation Pest Control Agents. J. Chem. Inf. Model. 61(2): 715-728 (2021) - 2020
- [j13]Ferah Comert Onder, Serdar Durdagi, Kader Sahin, Bulent Ozpolat, Mehmet Ay:
Design, Synthesis, and Molecular Modeling Studies of Novel Coumarin Carboxamide Derivatives as eEF-2K Inhibitors. J. Chem. Inf. Model. 60(3): 1766-1778 (2020) - [j12]Yusuf Serhat Is, Busecan Aksoydan, Murat Senturk, Mine Yurtsever, Serdar Durdagi:
Integrated Binary QSAR-Driven Virtual Screening and In Vitro Studies for Finding Novel hMAO-B-Selective Inhibitors. J. Chem. Inf. Model. 60(8): 4047-4055 (2020) - 2019
- [j11]Ismail Erol, Bunyemin Cosut, Serdar Durdagi:
Toward Understanding the Impact of Dimerization Interfaces in Angiotensin II Type 1 Receptor. J. Chem. Inf. Model. 59(10): 4314-4327 (2019) - 2018
- [j10]Ramin Ekhteiari Salmas, Philip Seeman, Matthias Stein, Serdar Durdagi:
Structural Investigation of the Dopamine-2 Receptor Agonist Bromocriptine Binding to Dimeric D2HighR and D2LowR States. J. Chem. Inf. Model. 58(4): 826-836 (2018) - 2016
- [j9]Sergey Shityakov, Ramin Ekhteiari Salmas, Serdar Durdagi, Ellaine Salvador, Katalin Pápai, Maria Josefa Yáñez-Gascón, Horacio Pérez Sánchez, István Puskás, Norbert Roewer, Carola Förster, Jens-Albert Broscheit:
Characterization, in Vivo Evaluation, and Molecular Modeling of Different Propofol-Cyclodextrin Complexes To Assess Their Drug Delivery Potential at the Blood-Brain Barrier Level. J. Chem. Inf. Model. 56(10): 1914-1922 (2016) - 2014
- [j8]Georgios Leonis, Aggelos Avramopoulos, Ramin Ekhteiari Salmas, Serdar Durdagi, Mine Yurtsever, Manthos G. Papadopoulos:
Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes. J. Chem. Inf. Model. 54(8): 2294-2308 (2014) - 2012
- [j7]Serdar Durdagi, Sumukh Deshpande, Henry J. Duff, Sergei Yu Noskov:
Modeling of Open, Closed, and Open-Inactivated States of the hERG1 Channel: Structural Mechanisms of the State-Dependent Drug Binding. J. Chem. Inf. Model. 52(10): 2760-2774 (2012) - 2011
- [j6]Haralambos Tzoupis, Georgios Leonis, Serdar Durdagi, Varnavas D. Mouchlis, Thomas M. Mavromoustakos, Manthos G. Papadopoulos:
Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations. J. Comput. Aided Mol. Des. 25(10): 959-976 (2011) - [j5]Serdar Durdagi, Henry J. Duff, Sergei Yu Noskov:
Combined Receptor and Ligand-Based Approach to the Universal Pharmacophore Model Development for Studies of Drug Blockade to the hERG1 Pore Domain. J. Chem. Inf. Model. 51(2): 463-474 (2011) - 2010
- [j4]George Agelis, Panagiota Roumelioti, Amalia Resvani, Serdar Durdagi, Maria-Eleni Androutsou, Konstantinos Kelaidonis, Demetrios Vlahakos, Thomas M. Mavromoustakos, John Matsoukas:
An efficient synthesis of a rationally designed 1, 5 disubstituted imidazole AT1 Angiotensin II receptor antagonist: reorientation of imidazole pharmacophore groups in losartan reserves high receptor affinity and confirms docking studies. J. Comput. Aided Mol. Des. 24(9): 749-758 (2010) - 2009
- [j3]Constantinos Potamitis, Maria Zervou, Vassilis Katsiaras, Panagiotis Zoumpoulakis, Serdar Durdagi, Manthos G. Papadopoulos, Joseph M. Hayes, Simona Golic Grdadolnik, Ioanna Kyrikou, Dimitris Argyropoulos, Georgia Vatougia, Thomas M. Mavromoustakos:
Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations. J. Chem. Inf. Model. 49(3): 726-739 (2009) - [j2]Serdar Durdagi, Claudiu T. Supuran, T. Amanda Strom, Nadjmeh Doostdar, Mananjali K. Kumar, Andrew R. Barron, Thomas M. Mavromoustakos, Manthos G. Papadopoulos:
In Silico Drug Screening Approach for the Design of Magic Bullets: A Successful Example with Anti-HIV Fullerene Derivatized Amino Acids. J. Chem. Inf. Model. 49(5): 1139-1143 (2009) - 2008
- [j1]Agnes Kapou, Nikolas-P. Benetis, Serdar Durdagi, Sotiris Nikolaropoulos, Thomas M. Mavromoustakos:
3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters Coupled with Conformationally Flexible Nitrogen Mustards. J. Chem. Inf. Model. 48(11): 2254-2264 (2008)
Coauthor Index
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