Data Analytics for Protein Crystallization

This book provides an overview of the computational aspects of protein crystallization screening and analysis of crystallization image trials. The work gathers together valuable insights from crystallographers and computer scientists, broadly covering the fundamental topics on computational and data analytics for protein crystallization. The text opens by explaining the basic protein crystallization process, and by discussing scoring and phases of protein crystallization. Computational methods for protein crystallization screening are then reviewed, followed by an examination of the components of a robotic acquisition system specifically designed for the analysis of crystallization trial images. Next, the book analyzes the relevant features and possible categorization of phases for effective classification of crystallization trials. It is revealed how, by analyzing time-series images, it is possible to provide a spatio-temporal analysis that considers the formation of new crystals, as well as the growing size of crystals. As protein crystals may float in a liquid of a 3D well, the text also addresses how to generate in-focus images from a set of images that are captured at different depths of field. Additionally, the book explains how crystal regions in images can be segmented for effective analysis of protein crystals. Effective visualization techniques for crystallization trial experiments are also presented.