Impact of Remdesivir Incorporation along the Primer Strand on SARS-CoV-2 RNA-Dependent RNA Polymerase. - Sehr Naseem-Khan; Madison B. Berger; Emmett M. Leddin; Yazdan Maghsoud; G. Andrés Cisneros (J. Chem. Inf. Model., 2022)

Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. - Yazdan Maghsoud; Erik Antonio Vázquez-Montelongo; Xudong Yang; Chengwen Liu; Zhifeng Jing; Juhoon Lee; Matthew Harger; Ally K. Smith; Miguel Espinoza; Hou-Fu Guo; Jonathan M. Kurie; Kevin N. Dalby; et al. (J. Chem. Inf. Model., 2023)

Investigation of the Inhibition Mechanism of Xanthine Oxidoreductase by Oxipurinol: A Computational Study. - Yazdan Maghsoud; Chao Dong; G. Andrés Cisneros (J. Chem. Inf. Model., 2023)

Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects. - Yazdan Maghsoud; Vindi M. Jayasinghe-Arachchige; Pratibha Kumari 003; G. Andrés Cisneros; Jin Liu 005 (J. Chem. Inf. Model., 2023)

Effects of the Y432S Cancer-Associated Variant on the Reaction Mechanism of Human DNA Polymerase κ. - Yazdan Maghsoud; Arkanil Roy; Emmett M. Leddin; G. Andrés Cisneros (J. Chem. Inf. Model., 2024)