Publications

Manuscript Published:

1. 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).

2. 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).

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

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

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

Conference Proceedings:

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

Manuscript In Review:

• AGM, SE, WW, MK, Structural dynamics in the CENP-A nucleosome impacted by protein-protein interactions with centromere protein N  (biorxiv link)

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

Manuscript In Progress:

• AGM, WW, MK, Unraveling Sequence Effects in Centromeric Nucleosomes: Insights from Coarse-Grained Molecular Dynamics  (In Preparation).

• AGM, RP, TR, SML Sequence-dependent nucleosome unwrapping revealed by multiscale enhanced sampling simulations (In Preparation).

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

• AGM, AP, Molecular Dynamics Insights into BAMLET interactions with normal and cancer cell membranes (In Preparation).

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