Understanding Protein Folding Using Molecular Dynamics Simulation

The way a protein fold into a three dimensional structure and perform its function is still remains as protein folding puzzle. In the present work, we attempt to understand how the information encoded in the primary sequence of a protein gets translated into a three dimensional structure is studied on the peptide models from various proteins using molecular dynamics simulation. We also attempt to understand the nature of unfolded state under physiological conditions. On the whole these two aspects are emphasized in this book.