Tuğba Taşkın‐Tok

Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

Khattab Al-Khafaji, Tuğba Taşkın‐Tok · Computer Methods and Programs in Biomedicine · 2020 · 161 citations

Biophysical Modeling, Free Energy Landscape, Free Energy Computations +10

Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2

Khattab Al-Khafaji, Dunya AL-Duhaidahawi, Tuğba Taşkın‐Tok · Journal of Biomolecular Structure and Dynamics · 2020 · 147 citations · Full text

Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19

Md. Oliullah Rafi, Gourab Bhattacharje, Khattab Al-Khafaji et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 64 citations · Full text

Novel chiral Schiff base Palladium(II), Nickel(II), Copper(II) and Iron(II) complexes: Synthesis, characterization, anticancer activity and molecular docking studies

Eyüp Başaran, Hatice Gamze Soğukömeroğulları, Reşit Çakmak et al. · Bioorganic Chemistry · 2022 · 59 citations

Inorganic Chemistry, Chemical Engineering, Medicinal Chemistry +9

New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors

Nurcan Karaman, Yusuf Sıcak, Tuğba Taşkın‐Tok et al. · European Journal of Medicinal Chemistry · 2016 · 55 citations · Full text

Combinatorial Chemistry, Molecular Docking Studies, Medicinal Chemistry +9