Computational biophysics & nanoscale simulations

Reference no: EM1317116

1-Describe using no more than 200 words, what is a protein and how could we model and simulate it using classical mechanics and computer programs.

2. Write down the formula of the Hamiltonian used in a typical classical atomistic Molecular dynamics simulation. Describe the potential energy terms using only one Simple sentence for each term.

3. Plot on a single graph the Lennard-Jones potential using the parameters σ =3, and ε₁=2, ε₂=3 and ε₃=4. State in one short sentence what is the interpretation of the Parameter ε. Please remember to label your axes properly.

4. Plot on a single graph the Lennard-Jones potential using the parameters ε=3, σ ₁=2, σ₂=3 and σ₃=4. State in one short sentence what is the interpretation of the parameterσ. Please remember to label your axes properly.

Reference no: EM1317116

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