Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package. - Antoine Marion; Hatice Gokcan; Gerald Monard (J. Chem. Inf. Model., 2019)

Simulations of Pathogenic E1α Variants: Allostery and Impact on Pyruvate Dehydrogenase Complex-E1 Structure and Function. - Hatice Gokcan; Jirair K. Bedoyan; Olexandr Isayev (J. Chem. Inf. Model., 2022)