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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