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)