Protein folding in silico: Protein folding versus protein structure prediction

Protein folding is a process by which a protein structure assumes its functional shape of conformation. It has been the subject of research since the publication of the first software tool for protein structure prediction. The goal of this book is to propose and evaluate a theoretical model that enables simulation of the protein folding process. The model attempts to incorporate, as far as possible, the results of experimental studies and exploit knowledge about the mechanisms that affect naturally occurring proteins. Its intention is to simulate each stage in the folding process, rather than simply predict its final result.  Chapters discuss the basic assumptions applicable to each intermediate form and explain how they affect the process of generating protein complexation sites, ligand-binding pockets and enzymatic active sites.- Introduces a unique model based on experimental observations of protein folding- Highlights the criteria applied when comparing and assessing different approaches to the presented problem- Explains the influence of observation-based models on the interpretation of the nature of the folding process- Describes various ways to quantitatively assess the presented models from the viewpoint of information theory