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

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

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

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

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

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

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

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

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

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

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