Conformational properties of amphotericin B amide derivatives - impact on selective toxicity. - Haluk Resat; F. Aylin Sungur; Maciej Baginski; Edward Borowski; Viktorya Aviyente (J. Comput. Aided Mol. Des., 2000)

Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer. - Bülent Balta; Viktorya Aviyente (J. Comput. Chem., 2003)

Theoretical study of selective methylation in the synthesis of azithromycin. - Dilek Duran; Viktorya Aviyente; Canan Baysal (J. Comput. Aided Mol. Des., 2004)

Solvent effect on the synthesis of clarithromycin: A molecular dynamics study. - Dilek Duran; Viktorya Aviyente; Canan Baysal (J. Comput. Aided Mol. Des., 2004)

Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer - Erratum. - Bülent Balta; Viktorya Aviyente (J. Comput. Chem., 2004)

Solvent effects on glycine II. Water-assisted tautomerization. - Bülent Balta; Viktorya Aviyente (J. Comput. Chem., 2004)

Assessing protein-ligand binding modes with computational tools: the case of PDE4B. - Gülsah Çifci; Viktorya Aviyente; E. Demet Akten; Gerald Monard (J. Comput. Aided Mol. Des., 2017)

A blind SAMPL6 challenge: insight into the octanol-water partition coefficients of drug-like molecules via a DFT approach. - Evrim Arslan; Basak Koca Findik; Viktorya Aviyente (J. Comput. Aided Mol. Des., 2020)

SAMPL7 blind challenge: quantum-mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules. - Basak Koca Findik; Zeynep Pinar Haslak; Evrim Arslan; Viktorya Aviyente (J. Comput. Aided Mol. Des., 2021)

Using Atomic Charges to Describe the pKa of Carboxylic Acids. - Zeynep Pinar Haslak; Sabrina Zareb; Ilknur Dogan; Viktorya Aviyente; Gerald Monard (J. Chem. Inf. Model., 2021)

Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives. - Evrim Arslan; Zeynep Pinar Haslak; Gerald Monard; Ilknur Dogan; Viktorya Aviyente (J. Chem. Inf. Model., 2023)