Utsab R Shrestha
Postdoctoral Research Associate
I am interested in modeling the structure of flexible proteins that include intrinsically disordered proteins and multi-domain complex connected by flexible linkers. Currently, I am working on modeling the ensemble of structures of such flexible proteins implementing the synergistic approach of combining small-angle (X-ray/neutron) scattering (SAXS/SANS) and all-atom molecular dynamics simulations using enhanced sampling method. In addition, I am also working on understanding the plant cell wall structure and interactions using SANS and MD simulation. Earlier, during my Ph.D., I have worked on the investigation of dynamics-function relationship in proteins using different scattering techniques such as quasi-elastic neutron scattering and inelastic neutron/X-ray scattering.