Fingerprint Directed Scaffold Hopping for Identification of CCR2 Antagonists. - Pramod C. Nair; Masilamani Elizabeth Sobhia (J. Chem. Inf. Model., 2008)

Probing Interaction Requirements in PTP1B Inhibitors: A Comparative Molecular Dynamics Study. - Rajendra Kumar 003; Ranajit Nivrutti Shinde; Dara Ajay; Masilamani Elizabeth Sobhia (J. Chem. Inf. Model., 2010)

Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site. - Hymavati; Vivek Kumar 003; Masilamani Elizabeth Sobhia (Comput. Math. Methods Medicine, 2012)

In silico identification of novel PKC βII inhibitors: ligand and receptor based pharmacophore modeling, virtual screening, and molecular dynamics study. - Baljinder K. Grewal; Masilamani Elizabeth Sobhia (J. Cheminformatics, 2012)

Characterisation of the flexibility of substrate binding loop in the binding of direct InhA inhibitors. - Vivek Kumar 003; Masilamani Elizabeth Sobhia (Int. J. Comput. Biol. Drug Des., 2013)

Targeting an Old Foe for Cancer: A Molecular Dynamics Perspective to Unravel the Specific Binding Nature of 2-Methoxy Estradiol to Human β-Tubulin Isotypes. - Sonia Kumari; Masilamani Elizabeth Sobhia (J. Chem. Inf. Model., 2024)