Synthesis, identification, density functional and Hirshfeld surface studies of 2, 2′-disulfanediylbis(tetrahydro-4H-cyclopenta[d][1, 3, 2]dioxaphosphole-2-sulfide). - Ahmed M. Mkadmh; Zaki S. Safi; Adnan A. Elkhaldy; Richard J. Staples; Savas Kaya; Goncagül Serdaroglu (J. Comput. Chem., 2021)

Substituted naphthoxy-phthalonitrile derivatives: Synthesis, substituent effects, DFT, TD-DFT Calculations, antimicrobial properties and DNA interaction studies. - Musa Erdogan; Ceren Baskan; Goncagül Serdaroglu (Comput. Biol. Chem., 2023)

Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives. - Imad Ahmad; Haroon Khan; Goncagül Serdaroglu (Comput. Biol. Chem., 2023)

An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations. - Goncagül Serdaroglu; Nesimi Uludag; Elvan Üstün (Comput. Biol. Chem., 2023)

SwissADME studies and Density Functional Theory (DFT) approaches of methyl substituted curcumin derivatives. - Muhammad Bilal Afridi; Haseeba Sardar; Goncagül Serdaroglu; Syed Wadood Ali Shah; Khalaf F. Alsharif; Haroon Khan (Comput. Biol. Chem., 2024)

Functionalized p-cymene and pyrazine derivatives: Physicochemical, ADMT, drug-likeness, and DFT studies. - Goncagül Serdaroglu (Comput. Biol. Chem., 2025)