Publications

1. Structural dynamics in the CENP-A nucleosome impacted by protein-protein interactions with centromere protein N, Abhik G Moulick, Sylvia Erhardt, Wolfgang Wenzel, and Mariana Kozlowska, Nanoscale (2026).

2. Unveiling Nucleosome Dynamics: A Comparative Study Using All-Atom and Coarse-Grained Simulations Enhanced by Principal Component Analysis, Abhik G Moulick, Rutika Patel, Augustine C Onyema, and Sharon M. Loverde, J. Chem. Phys. 162, 065101 (2025).

3. Sequence Dependence in Nucleosome Dynamics , Prabir Khatua, Phu K. Tang*, Abhik G Moulick*, Rutika Patel*, Anjela Manandhar and Sharon M. Loverde, J. Phys. Chem. B 2024, 128, 3090-3101 (*Cosecond author).

4. Fluctuation dominated ligand binding in molten globule protein, Abhik G Moulick, J. Chakrabarti, Journal of Chemical Information and Modeling, 2023, 63, 17, 5583–5591.

5. Conformational fluctuations in molten globule state of α-lactalbumin , Abhik G. Moulick, J. Chakrabarti, Physical Chemistry Chemical Physics, 2022, 24, 21348-21357.

6. Correlated dipolar and dihedral fluctuations in a protein,  Abhik G. Moulick, J. Chakrabarti, Chemical Physics Letters 797 (2022) 139574.

1. Correlation between protein bond vector and dihedral fluctuations, A.G.Moulick, J. Chakrabarti, AIP Conference Proceedings 2265, 030036, 2020 (Click Here).

• KK*,AGM*, JC, Structure-Preserving Coarse-Grained model of Proteins in Explicit Solvent (biorxiv link).

• AGM*, RP, TR, SML, DNA Sequence and Histone Variant H2A.Z Jointly Govern Nucleosome Unwrapping Pathways (biorxiv link)

• AGM, SE, MK, Sequence Dependent Conformational Regulation of Centromeric and Canonical Nucleosomes  (In Preparation).

• AGM Molecular Dynamics Insights into Protonation-Induced Conformational Changes in Ubiquitin (In Preparation).

• AGM, AP, Atomistic Insights into BAMLET Binding to Model Cancer Cell Membrane (In Preparation).

• AGM Dynamics of water at protein-ligand interface in molten globule state (In Preparation).