| Comparative assessment of seven docking programs on a nonredundant metalloprotein subset of the PDBbind refined SS Çınaroğlu, E Timuçin Journal of Chemical Information and Modeling 59 (9), 3846-3859, 2019 | 35 | 2019 |
| An integrated approach towards the development of novel antifungal agents containing thiadiazole: synthesis and a combined similarity search, homology modelling, molecular … M Er, AM Abounakhla, H Tahtaci, AH Bawah, SS Çınaroğlu, A Onaran, ... Chemistry Central Journal 12, 1-21, 2018 | 24 | 2018 |
| Molecular modelling of the FOXO4-TP53 interaction to design senolytic peptides for the elimination of senescent cancer cells HH Le, SS Cinaroglu, EC Manalo, A Ors, MM Gomes, BD Sahbaz, ... EBioMedicine 73, 2021 | 19 | 2021 |
| VirtualFlow ants—ultra-large virtual screenings with artificial intelligence driven docking algorithm based on ant colony optimization C Gorgulla, SS Çınaroğlu, PD Fischer, K Fackeldey, G Wagner, ... International Journal of Molecular Sciences 22 (11), 5807, 2021 | 17 | 2021 |
| Comprehensive evaluation of the MM-GBSA method on bromodomain-inhibitor sets SS Çınaroğlu, E Timuçin Briefings in Bioinformatics 21 (6), 2112-2125, 2020 | 15 | 2020 |
| Peptide antibiotics developed by mimicking natural antimicrobial peptides N Unubol, SS Çınaroğlu, MA Elmas, S Akcelik, AT Ozal Ildeniz, S Arbak Clin. Microbiol 6 (1000291), 10.4172, 2017 | 12 | 2017 |
| Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular … A Maryam, RR Khalid, SC Vedithi, ECE Abdulilah, SS Çınaroğlu, ... Computational and Structural Biotechnology Journal 18, 1625-1638, 2020 | 9 | 2020 |
| Insights into an alternative benzofuran binding mode and novel scaffolds of polyketide synthase 13 inhibitors SS Çınaroğlu, E Timuçin Journal of Molecular Modeling 25, 1-12, 2019 | 8 | 2019 |
| Evaluating the performance of water models with host–guest force fields in binding enthalpy calculations for cucurbit [7] uril–guest systems SS Çınaroğlu, PC Biggin The Journal of Physical Chemistry B 125 (6), 1558-1567, 2021 | 6 | 2021 |
| In silico identification of inhibitors targeting N-terminal domain of human replication protein A SS Çınaroğlu, E Timuçin Journal of Molecular Graphics and Modelling 86, 149-159, 2019 | 5 | 2019 |
| VirtualFlow 2.0-The Next Generation Drug Discovery Platform Enabling Adaptive Screens of 69 Billion Molecules C Gorgulla, AK Nigam, M Koop, SS Cinaroglu, C Secker, M Haddadnia, ... bioRxiv, 2023.04. 25.537981, 2023 | 4 | 2023 |
| Bridging the Bridging Imidazolate in the Bimetallic Center of the Cu/Zn SOD1 and ALS AC Timucin, SS Cinaroglu, OU Sezerman, E Timucin Frontiers in Chemistry 9, 686, 2021 | 4 | 2021 |
| The role of loop dynamics in the prediction of ligand–protein binding enthalpy SS Çınaroğlu, PC Biggin Chemical Science 14 (24), 6792-6805, 2023 | 1 | 2023 |
| A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular … RR Khalid, A Maryam, SS Çınaroğlu, AR Siddiqi, OU Sezerman Journal of Biomolecular Structure and Dynamics 40 (13), 6128-6150, 2022 | 1 | 2022 |
| Modeling and dynamical analysis of the full-length structure of factor XII with zinc E Kılınç, A Can Timucin, S Selim Cinaroglu, E Timucin Journal of molecular modeling 28 (5), 129, 2022 | 1 | 2022 |
| Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex P Altiner, SS Çınaroğlu, AC Timucin, E Timucin Scientific Reports 13 (1), 18399, 2023 | | 2023 |
| Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors AK Nigam, MFD Hurley, F Li, E Konkoĭová, M Klíma, J Trylčová, R Pollice, ... bioRxiv, 2023 | | 2023 |
| Computed Protein–Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems SS Çınaroğlu, PC Biggin Journal of Chemical Information and Modeling 63 (19), 6095-6108, 2023 | | 2023 |
| Input Files for the Absolute Binding Enthalpies of Protein-Peptide Complexes SS Çınaroğlu, PC Biggin https://doi.org/10.5281/zenodo.7632893, 2023 | | 2023 |
| Input Files for the Absolute Binding Enthalpies of BRD4-1 and Ligand Complexes SS Çınaroğlu, PC Biggin https://doi.org/10.5281/zenodo.7534583, 2023 | | 2023 |
Emel TimucinAcibadem University Medical InformaticsVerified email at acibadem.edu.tr
