Some practical aspects of free energy calculations from molecular dynamics simulation. - Srikanta Sen; Lennart Nilsson (J. Comput. Chem., 1999)

A Simple Approach for Indexing the Oral Druglikeness of a Compound: Discriminating Druglike Compounds from Nondruglike Ones. - Dhrubajyoti Biswas; Sujata Roy; Srikanta Sen (J. Chem. Inf. Model., 2006)

Turning a Mesophilic Protein into a Thermophilic One: A Computational Approach Based on 3D Structural Features. - Sohini Basu; Srikanta Sen (J. Chem. Inf. Model., 2009)

Do Homologous Thermophilic-Mesophilic Proteins Exhibit Similar Structures and Dynamics at Optimal Growth Temperatures? A Molecular Dynamics Simulation Study. - Sohini Basu; Srikanta Sen (J. Chem. Inf. Model., 2013)

Insights on Rigidity and Flexibility at the Global and Local Levels of Protein Structures and Their Roles in Homologous Psychrophilic, Mesophilic, and Thermophilic Proteins: A Computational Study. - Srikanta Sen; Munna Sarkar (J. Chem. Inf. Model., 2022)