Protein Structure Prediction and Analysis

Why it is important to know this material? Protein structure prediction is one of the hot topics of the modern computational biology. The computational approach to the determination of protein structure is a new benchmark in structural biology, with a special regards to proteins recalcitrant to crystallization. What is the key idea? The key idea is to exploit the method of molecular dynamics to determine the three-dimensional protein structure according to the minimum of the conformation Gibbs free energy. What is necessary to know already? It is necessary to be familiar with the principles of protein structure and folding, along with the fundamentals of molecular dynamics of biomacromolecules.