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Dr. Abhik G. Moulick,Postdoctoral Research Associate, Multiscale Materials Modelling and Virtual Design, Room No.0-227Institute of Nanotechnology (INT),Karlsruhe Institute of Technology (KIT)Email: abhik.moulick@kit.edu
Currently I am working as a Postdoctoral Fellow in the Institute of Nanotechnology (INT) at Karlsruhe Institute of Technology, Germany with Dr. Mariana Kozlowska and Prof. Wolfgang Wenzel.
Prior to that I was Postdoctoral Fellow in the Department of Chemistry at the College of Staten Island, City University of New York, USA, where I work in the research group of Prof. Sharon Loverde.
I earned my Ph.D. in Theoretical Soft Matter Physics from the S. N. Bose National Centre for Basic Sciences, India, under the supervision of Prof. Jaydeb Chakrabarti.
My ongoing research focuses on developing computational techniques to investigate the structure and stability of the nucleosome core particle using a combination of all-atom and coarse-grained simulations. My Ph.D. thesis explored molecular dynamics simulations of biomolecules, particularly proteins, with a special emphasis on unraveling relaxation phenomena within proteins, especially concerning dihedral angles.
In the news :
New preprint on coarse grained simulation of centromeric nucleosome: "Structural dynamics in the CENP-A nucleosome impacted by protein-protein interactions with centromere protein N" (biorxiv link)
New preprint on coarse grained simulation: "Structure-Preserving Coarse-Grained Simulation of Proteins in Explicit Solvent" (biorxiv link)
Delivered a talk In SIMPLAIX 2025, Organized by Heidelberg Institute for Theoretical Studies (HITS), Heidleberg, Germany, 07.05.2025-09.05.2025.
Publication alert: "Unveiling Nucleosome Dynamics: A Comparative Study Using All-Atom and Coarse-Grained Simulations Enhanced by Principal Component Analysis" Link (Accepted in J. Chem. Phys. 162, 065101 (2025)).
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