Introduction to Protein Structure

TL;DR

This book provides an introductory overview of Structural Bioinformatics, focusing on computational techniques for analyzing, predicting, and simulating protein structures, aimed at newcomers to the field.

Contribution

It offers a comprehensive, practical introduction to computational methods in Structural Bioinformatics, bridging foundational concepts with application-oriented knowledge.

Findings

Overview of computational techniques for protein analysis

Guidance on when and how to use bioinformatics tools

Introduction to protein structure quantification, prediction, and dynamics

Abstract

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims to give an introduction into Structural Bioinformatics, which is where the previous topics meet to explore three dimensional protein structures through computational analysis. We provide an overview of existing computational techniques, to validate, simulate, predict and analyse protein structures. More importantly, it will aim to provide practical knowledge about how and when to use such techniques. We will consider proteins from three major vantage points: Protein structure quantification, Protein structure prediction, and Protein simulation & dynamics. Within the living cell, protein molecules perform specific functions, typically by interacting with other proteins, DNA, RNA or small molecules. They take on a specific three dimensional structure, encoded by its amino acid sequence, which allows them to function within the cell. Hence, the understanding of a protein's function is tightly coupled to its sequence and its three dimensional structure. Before going into protein structure analysis and prediction, and protein folding and dynamics, here, we give a short and concise introduction into the basics of protein structures.