A New Class of Superhalogen Based Anion Receptor in Li-Ion Battery Electrolytes. - Rakesh Parida; G. Naaresh Reddy; Arindam Chakraborty; Santanab Giri; Madhurima Jana (J. Chem. Inf. Model., 2019)

Insights into the Sensitivity of Arginine Concentration to Preserve the Folded Form of Insulin Monomer under Thermal Stress. - Santanu Santra; Madhurima Jana (J. Chem. Inf. Model., 2020)

Predicting the evolution of number of native contacts of a small protein by using deep learning approach. - Santanu Santra; Madhurima Jana (Comput. Biol. Chem., 2022)

Sulfation Effects of Chondroitin Sulfate to Bind a Chemokine in Aqueous Medium: Conformational Heterogeneity and Dynamics from Molecular Simulation. - Shakuntala Dhurua; Madhurima Jana (J. Chem. Inf. Model., 2023)

Interfacial Glucose to Regulate Hydrated Lipid Bilayer Properties: Influence of Concentrations. - Sankar Maity; Somdev Pahari; Santanu Santra; Madhurima Jana (J. Chem. Inf. Model., 2024)