QSPR Study on the Bioconcentration Factors of Nonionic Organic Compounds in Fish by Characteristic Root Index and Semiempirical Molecular Descriptors. - Melek Türker Saçan; Safiye Sag Erdem; Gül Altinbas Özpinar; Isil Akmehmet Balcioglu (J. Chem. Inf. Model., 2004)

A comparative computational investigation on the proton and hydride transfer mechanisms of monoamine oxidase using model molecules. - Vildan Enisoglu Atalay; Safiye Sag Erdem (Comput. Biol. Chem., 2013)

Computational insight into the phthalocyanine-DNA binding via docking and molecular dynamics simulations. - Lalehan Ozalp; Safiye Sag Erdem; Basak Yuce-Dursun; Ozal Mutlu; Mehmet Özbil (Comput. Biol. Chem., 2018)

Mechanistic Investigation of Lysine-Targeted Covalent Inhibition of PI3Kδ via ONIOM QM: QM Computations. - Volkan Findik; Betül Tuba Varinca Gerçik; Öykü Sinek; Safiye Sag Erdem; Manuel F. Ruiz-López (J. Chem. Inf. Model., 2022)