Polarizable Water Model for the Coarse-Grained MARTINI Force Field. - Semen O. Yesylevskyy; Lars V. Schäfer; Durba Sengupta; Siewert J. Marrink (PLoS Comput. Biol., 2010)

Molecular Insights into the Dynamics of Pharmacogenetically Important N-Terminal Variants of the Human β2-Adrenergic Receptor. - Ganesh Shahane; Chirag Parsania; Durba Sengupta; Manali Joshi (PLoS Comput. Biol., 2014)

Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1. - Shalmali Kharche; Manali Joshi; Amitabha Chattopadhyay; Durba Sengupta (PLoS Comput. Biol., 2021)

Improved Protein Dynamics and Hydration in the Martini3 Coarse-Grain Model. - Shalmali Kharche; Manjul Yadav; Vrushali Hande; Shikha Prakash; Durba Sengupta (J. Chem. Inf. Model., 2024)