Manuscript Published:

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) 18 (28): 14951–14966.

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

J. Chem. Inf. Model., 2023, 63, 17, 5583–5591.

5. Conformational fluctuations in molten globule state of α-lactalbumin. 

Abhik G. Moulick, J. Chakrabarti

Phys. Chem. Chem. Phys, 2022, 24, 21348-21357.

6. Correlated dipolar and dihedral fluctuations in a protein.

Abhik G. Moulick, J. Chakrabarti

Chemical Physics Letters 797 (2022) 139574.

7. Correlation between protein bond vector and dihedral fluctuations, 

Abhik G.Moulick, J. Chakrabarti

AIP Conference Proceedings 2265, 030036, 2020 (Click Here).

Manuscript In Review:

1. Simulation of Protein Structure using a Coarse-Grained Potential incorporating the  Backbone Dihedral Interactions 

bioRxiv id: BIORXIV/2025/671185  (Under review at PCCP)

Abhik G. Moulick*, Kanika Kole*, J. Chakrabarti. (*Joint first author)

2. DNA Sequence and Histone Variant H2A.Z Jointly Govern Nucleosome Unwrapping Pathways

bioRxiv id: BIORXIV/2026/732425 (Under review at J. Phys. Chem. B)

Abhik G Moulick, Rutika Patel, T. Rajpersaud, Evgenia N. Niklova and Sharon M. Loverde

Manuscript In Progress:

1. DNA Sequence Differentially Modulates Histone Core and Tail Interactions in Canonical and Centromeric Nucleosomes

Abhik G Moulick, Sylvia Erhardt, Wolfgang Wenzel, and Mariana Kozlowska

2. Atomistic Insights into BAMLET Binding to Model Cancer Cell Membrane.

Abhik G Moulick, Anirban Paul.