Halogenated class of oximes as a new class of monoamine oxidase-B inhibitors for the treatment of Parkinson's disease: Synthesis, biochemistry, and molecular dynamics study. - Della Grace Thomas Parambi; Jong Min Oh; Sunil Kumar; Sachithra Thazhathuveedu Sudevan; Omnia Magdy Hendawy; Mohamed A. Abdelgawad; Arafa Musa; Mohammad M. Al-Sanea; Iqrar Ahmad; Harun Patel; Hoon Kim; Bijo Mathew (Comput. Biol. Chem., 2023)

MzDOCK: A free ready-to-use GUI-based pipeline for molecular docking simulations. - Muzammil Kabier; Nicola Gambacorta; Daniela Trisciuzzi; Sunil Kumar; Orazio Nicolotti; Bijo Mathew (J. Comput. Chem., 2024)

PoseidonQ: A Free Machine Learning Platform for the Development, Analysis, and Validation of Efficient and Portable QSAR Models for Drug Discovery. - Muzammil Kabier; Nicola Gambacorta; Fulvio Ciriaco; Fabrizio Mastrolorito; Sunil Kumar; Bijo Mathew; Orazio Nicolotti (J. Chem. Inf. Model., 2025)