Research

Simulation of Protein-ligand  recognition kinetics

  • Classical Molecular Dynamics Simulation

  • Atomistic and Physics-based modelling

  • Illustration of multiscale mechanism

  • Statistical Models and machine learning

  • Intensive collaboration with experiments

 Macromolecule/Interface/Osmolyte

Conformation & Phase separation Of Intrinsically Disordered protein

Machine-Learning and generative AI

Integrative modelling of bacterial chromosome