| Synthesis, characterization of new phthalocyanines and investigation of photophysical, photochemical properties and theoretical studies Ö Tayfuroğlu, FA Kılıçarslan, GY Atmaca, A Erdoğmuş Journal of Porphyrins and Phthalocyanines 22 (01n03), 250-265, 2018 | 29 | 2018 |
| Novel peripherally substituted zinc phthalocyanine: synthesis, characterization, investigation of photophysicochemical properties and theoretical study O Tayfuroglu, G Yasa Atmaca, A Erdogmus Journal of Coordination Chemistry 70 (18), 3095-3109, 2017 | 23 | 2017 |
| Accurate binding free energy method from end-state MD simulations E Akkus, O Tayfuroglu, M Yildiz, A Kocak Journal of Chemical Information and Modeling 62 (17), 4095-4106, 2022 | 14 | 2022 |
| In Silico Investigation into H2 Uptake in MOFs: Combined Text/Data Mining and Structural Calculations O Tayfuroglu, A Kocak, Y Zorlu Langmuir 36 (1), 119-129, 2019 | 12 | 2019 |
| A neural network potential for the IRMOF series and its application for thermal and mechanical behaviors O Tayfuroglu, A Kocak, Y Zorlu Physical Chemistry Chemical Physics 24 (19), 11882-11897, 2022 | 10 | 2022 |
| Revisiting MMPBSA by adoption of MC-based surface area/volume, ANI-ML potentials, and two-valued interior dielectric constant E Akkus, O Tayfuroglu, M Yildiz, A Kocak The Journal of Physical Chemistry B 127 (20), 4415-4429, 2023 | 4 | 2023 |
| The performance of ANI‐ML potentials for ligand‐n(H2O) interaction energies and estimation of hydration free energies from end‐point MD simulations M Temel, O Tayfuroglu, A Kocak Journal of Computational Chemistry 44 (4), 559-569, 2023 | 2 | 2023 |
| Benchmarking ANI potentials as a rescoring function and screening FDA drugs for SARS-CoV-2 Mpro IN Zengin, MS Koca, O Tayfuroglu, M Yildiz, A Kocak Journal of Computer-Aided Molecular Design 38 (1), 15, 2024 | | 2024 |
| Entropic stabilization of a structurally tolerant phase: The ionic phase of lithium alanate M Krummenacher, O Tayfuroglu, J Finkler, H Huber, S Goedecker | | 2024 |
| Modeling Gas Adsorption and Mechanistic Insights into Flexibility in Isoreticular Metal–Organic Frameworks using High-Dimensional Neural Network Potentials O Tayfuroglu, Y Zorlu, A Kocak | | 2023 |
| Development and Application of a Single Neural Network Potential for IRMOF-n (n= 1, 4, 6, 7, 10) O Tayfuroglu, AK Kocak, Y Zorlu | | 2021 |
| An Accurate Free Energy Method for Solvation of Organic Compounds and Binding to Proteins O Tayfuroglu, M Yildiz, LW Pearson, A Kocak bioRxiv, 2020.05. 26.116459, 2020 | | 2020 |
Abdulkadir koçakPhD, Gebze Technical University在 gtu.edu.tr 的电子邮件经过验证
