Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study. - Yenamareddy Bhargav Kumar; Anwesh Pandey; Nandan Kumar; G. Narahari Sastry (J. Comput. Chem., 2023)

pLM4CPPs: Protein Language Model-Based Predictor for Cell Penetrating Peptides. - Nandan Kumar; Zhenjiao Du; Yonghui Li (J. Chem. Inf. Model., 2025)