Data Analytics for Protein Crystallization

This unique text/reference presents an overview of the computational aspects of protein crystallization, describing how to build robotic high-throughput and crystallization analysis systems. The coverage encompasses the complete data analysis cycle, including the set-up of screens by analyzing prior crystallization trials, the classification of crystallization trial images by effective feature extraction, the analysis of crystal growth in time series images, the segmentation of crystal regions in images, the application of focal stacking methods for crystallization images, and the visualization of trials.

Topics and features: describes the fundamentals of protein crystallization, and the scoring and categorization of crystallization image trials; introduces a selection of computational methods for protein crystallization screening, and the hardware and software architecture for a basic high-throughput system; presents an overview of the image features used in protein crystallization classification, and a spatio-temporal analysis of protein crystal growth; examines focal stacking techniques to avoid blurred crystallization images, and different thresholding methods for binarization or segmentation; discusses visualization methods and software for protein crystallization analysis, and reviews alternative methods to X-ray diffraction for obtaining structural information; provides an overview of the current challenges and potential future trends in protein crystallization.





This interdisciplinary work serves as an essential reference on the computational and data analytics components of protein crystallization for the structural biology community, in addition to computer scientists wishing to enter the field of protein crystallization.

Acest text unic / referinta prezinta o imagine de ansamblu asupra aspectelor de calcul ale cristalizarii proteinelor, descriind cum sa construim sisteme robotizate de analiza a randamentului ridicat si a cristalizarii. Acoperirea cuprinde ciclul complet de analiza a datelor, inclusiv configurarea ecranelor prin analiza studiilor de cristalizare anterioare, clasificarea imaginilor de proces de cristalizare prin extractia efectiva a caracteristicilor, analiza cresterii cristalelor in imagini din seria temporala, segmentarea regiunilor cristaline in imagini , aplicarea metodelor de stivuire focala pentru imagini de cristalizare si vizualizarea studiilor. Obiective si caracteristici: descrie fundamentele cristalizarii proteinelor, precum si punctarea si clasificarea incercarilor de imagine de cristalizare; introduce o selectie de metode de calcul pentru screeningul cristalizarii proteinelor si arhitectura hardware si software pentru un sistem de baza de mare viteza; prezinta o imagine de ansamblu a caracteristicilor imaginii utilizate in clasificarea cristalizarii proteinelor si o analiza spatio-temporala a cresterii cristalelor proteice; examineaza tehnicile de stivuire focala pentru a evita imaginile de cristalizare neclara si diferite metode de prag pentru binarizare sau segmentare; discuta metode de vizualizare si software pentru analiza cristalizarii proteinelor si revizuieste metode alternative la difractia cu raze X pentru obtinerea informatiilor structurale; ofera o prezentare generala a provocarilor actuale si a potentialelor tendinte viitoare in cristalizarea proteinelor. Aceasta lucrare interdisciplinara serveste ca o referinta esentiala asupra componentelor de calcul si analitice a datelor ale cristalizarii proteinelor pentru comunitatea de biologie structurala, in plus fata de informaticienii care doresc sa intre in domeniul cristalizarea proteinelor.