I am a computational biologist working on biomolecules in Prof. Wonpil Im’s lab as a postdoctoral fellow. Currently, I am working on elucidating the state transition mechanism of the organic cation transporter 1 (OCT1) using enhanced-sampling molecular dynamics simulations. I also worked as a postdoctoral fellow at IIT Delhi with Prof. Divya Nayar on dye molecule aggregation and small peptide aggregation using molecular dynamics simulations. I did my Ph.D. at IIIT Hyderabad with Prof. Abhijit Mitra and Prof. Gopalakrishnan Bulusu. I worked on the structure and dynamics of the Smoothened receptor (class F GPCR) and its interactions with lipids, as well as receptor activation upon small molecule binding using atomistic and coarse‑grained molecular dynamics simulations.

Ph.D. Thesis on

Structure and dynamics of Smoothened (SMO)– a potential target for regulating the Hedgehog (HH) signaling pathway.

Research Interest

1. Molecular Dynamics simulation (atomistic and coarse-grained)
2. Enhanced-sampling molecular dynamics simulations
3. G-protein coupled receptors (GPCRs): structure and dynamics
4. Protein-membrane lipid/small molecule interaction
5. Material science
6. Major facilitator superfamily (MFS) (OCT1, OCT2, URAT1)