RKM Research Group
Molecular Modeling and Simulation of Biomolecules and Condensed Matter

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We are located at Indian Institute of Science Education and Research (IISER) Bhopal. The areas of our current focus involve:

» Multi-scale modeling and simulations of protein folding/unfolding, protein aggregation, protein-ligand interactions, and biomolecular complexes and assemblies.
» Molecular level understanding of the coupled folding and binding process exhibited by intrinsically disordered proteins.
» Energetics and dynamics of the solvation process in room-temperature ionic liquids and their mixtures with various polar and non-polar solvents.
» Structure and dynamics of supercooled liquids and glasses under bulk and confined environments.

 
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