Laboratory of Bionanotechnology

Atomistic modeling and simulation of biological matter

About our lab at IITH

The bulk behavior of the biological matter emerges from the detailed structure and dynamics of molecules at the nanoscale. We use computational methods blended with statistical mechanics to understand and predict biological form and function. Our group excels in the all-atom and coarse-grained molecular dynamics simulation method and harnesses the power of high-performance supercomputers to create advances in the area of nanobiotechnology. The goal of our research group is to decipher the interaction that governs the behavior of biomolecules and led up to what we may call "Life". In this process of understanding the biomolecular form and function, we ask the question "can we create the synthetic analog of the cellular components and use them to solve real-world problems like water desalination, drug design, nanomedicine etc." 

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