Structural Investigations of Acridine Derivatives by CoMFA and CoMSIA Reveal Novel Insight into Their Structures toward DNA G-Quadruplex Mediated Telomerase Inhibition and Offer a Highly Predictive 3D-Model for Substituted Acridines. - Vishal Prakash Zambre; Prashant Revan Murumkar; Rajani Giridhar; Mange Ram Yadav (J. Chem. Inf. Model., 2009)

Development of predictive pharmacophore model for in silico screening, and 3D QSAR CoMFA and CoMSIA studies for lead optimization, for designing of potent tumor necrosis factor alpha converting enzyme inhibitors. - Prashant Revan Murumkar; Vishal Prakash Zambre; Mange Ram Yadav (J. Comput. Aided Mol. Des., 2010)

Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation. - Sanjay Soni; Khushbu Patil; Sharad Gavale; Soyeb Pathan; Rasana Yadav; Prashant Revan Murumkar; Rahul Kadu (J. Comput. Aided Mol. Des., 2025)