TransportTools: a library for high-throughput analyses of internal voids in biomolecules and ligand transport through them. - Jan Brezovsky; Aravind Selvaram Thirunavukarasu; Bartlomiej Surpeta; Carlos Eduardo Sequeiros-Borja; Nishita Mandal; Dheeraj Kumar Sarkar; Cedrix Jurgal Dongmo Foumthuim; Nikhil Agrawal (Bioinform., 2022)

Mechanisms of influence of the microtubule over-stabilizing ligands on the structure and intrinsic dynamics of α, β-Tubulin. - Debadrita Basu; Sarmistha Majumdar; Nishita Mandal; Shubhra Ghosh Dastidar (Comput. Biol. Chem., 2022)

Reinforcing Tunnel Network Exploration in Proteins Using Gaussian Accelerated Molecular Dynamics. - Nishita Mandal; Bartlomiej Surpeta; Jan Brezovsky (J. Chem. Inf. Model., 2024)