Computational Tools

This computational approach aims at providing Sequence-structure function relations using simulations of structure and dynamics and theoretical models in physical sciences. In order to understand the biological interactions, origin, functions, design/controlling mechanisms it is essential to know the structural information. In the identification of Structure and dynamics, Computational structural biology acts as a potential tool.

  • Protein folding
  • Protein dynamics
  • Drug Design
  • Atomistic
  • Continuum
  • Quantum Methods
  • Classical Methods

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