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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.
Many aspects of modern life have become personalized, yet healthcare practices have been lagging behind in this trend. It is now becoming more common to use big data analysis to improve current healthcare and medicinal systems, and offer better health services to all citizens. Applying Big Data Analytics in Bioinformatics and Medicine is a comprehensive reference source that overviews the current state of medical treatments and systems and offers emerging solutions for a more personalized approach to the healthcare field. Featuring coverage on relevant topics that include smart data, proteomics, medical data storage, and drug design, this publication is an ideal resource for medical professionals, healthcare practitioners, academicians, and researchers interested in the latest trends and techniques in personalized medicine.
This book presents a focus on proteins and their structures. The text describes various scalable solutions for protein structure similarity searching, carried out at main representation levels and for prediction of 3D structures of proteins. Emphasis is placed on techniques that can be used to accelerate similarity searches and protein structure modeling processes. The content of the book is divided into four parts. The first part provides background information on proteins and their representation levels, including a formal model of a 3D protein structure used in computational processes, and a brief overview of the technologies used in the solutions presented in the book. The second part of the book discusses Cloud services that are utilized in the development of scalable and reliable cloud applications for 3D protein structure similarity searching and protein structure prediction. The third part of the book shows the utilization of scalable Big Data computational frameworks, like Hadoop and Spark, in massive 3D protein structure alignments and identification of intrinsically disordered regions in protein structures. The fourth part of the book focuses on finding 3D protein structure similarities, accelerated with the use of GPUs and the use of multithreading and relational databases for efficient approximate searching on protein secondary structures. The book introduces advanced techniques and computational architectures that benefit from recent achievements in the field of computing and parallelism. Recent developments in computer science have allowed algorithms previously considered too time-consuming to now be efficiently used for applications in bioinformatics and the life sciences. Given its depth of coverage, the book will be of interest to researchers and software developers working in the fields of structural bioinformatics and biomedical databases.
This open access book constitutes the refereed proceedings of the 5th Asian Supercomputing Conference, SCFA 2019, held in Singapore in March 2019. The 6 full papers presented in this book were carefully reviewed and selected from 33 submissions. They cover a range of topics including memory fault handling, linear algebra, image processing, heterogeneous computing, resource usage prediction, and data caching.
The book analyzes the combination of intelligent data analytics with the intricacies of biological data that has become a crucial factor for innovation and growth in the fast-changing field of bioinformatics and biomedical systems. Intelligent Data Analytics for Bioinformatics and Biomedical Systems delves into the transformative nature of data analytics for bioinformatics and biomedical research. It offers a thorough examination of advanced techniques, methodologies, and applications that utilize intelligence to improve results in the healthcare sector. With the exponential growth of data in these domains, the book explores how computational intelligence and advanced analytic techniques can be harnessed to extract insights, drive informed decisions, and unlock hidden patterns from vast datasets. From genomic analysis to disease diagnostics and personalized medicine, the book aims to showcase intelligent approaches that enable researchers, clinicians, and data scientists to unravel complex biological processes and make significant strides in understanding human health and diseases. This book is divided into three sections, each focusing on computational intelligence and data sets in biomedical systems. The first section discusses the fundamental concepts of computational intelligence and big data in the context of bioinformatics. This section emphasizes data mining, pattern recognition, and knowledge discovery for bioinformatics applications. The second part talks about computational intelligence and big data in biomedical systems. Based on how these advanced techniques are utilized in the system, this section discusses how personalized medicine and precision healthcare enable treatment based on individual data and genetic profiles. The last section investigates the challenges and future directions of computational intelligence and big data in bioinformatics and biomedical systems. This section concludes with discussions on the potential impact of computational intelligence on addressing global healthcare challenges. Audience Intelligent Data Analytics for Bioinformatics and Biomedical Systems is primarily targeted to professionals and researchers in bioinformatics, genetics, molecular biology, biomedical engineering, and healthcare. The book will also suit academicians, students, and professionals working in pharmaceuticals and interpreting biomedical data.
Predictive data science is already in use in many fields, but its application in toxicology is new and sought after by non-animal alternative testing initiatives. Predictive Analytics for Toxicology: Applications in Discovery Science provides a comprehensive overview of the application of predictive analytics in the field of toxicology, highlighting its role and applications in discovery science. This book addresses the challenges of accurately predicting high-level endpoints of toxicity and explores the use of computational and artificial intelligence research to automate predictive toxicology. It underscores the importance of predictive toxicology in proposing and explaining adverse outcomes resulting from human exposures to specific toxicants, especially when experimental and observational data on the toxicant are incomplete or unavailable. Key features: Includes a plain language description of predictive analytics in toxicology adding an overview of the wide range of applications Examines the science of prediction, computational models as an automated science and comprehensive discussions on concepts of machine learning Opens the hood on AI and its applications in toxicology Features coverage on how in silico toxicity predictions are translational science tools The book integrates strategies and practices of predictive toxicology and offers practical information that students and professionals of the toxicology, chemical, and pharmaceutical industries will find essential. It fulfills the expectations of student researchers seeking to learn predictive analytics in toxicology. This book will energize scientists to conduct predictive toxicology modeling using artificial intelligence and machine learning, and inspire students and seasoned scientists interested in automated science to pick up new research using predictive in silico models to evaluate chemical-induced toxicity. With its focus on practical applications and real-world examples, this book serves as a guide for navigating the complex issues and practices of discovery toxicology. It is an essential resource for those interested in computer-based methods in toxicology, providing valuable insights into the use of predictive analytics.
The book reviews the recent research advances and their outcomes in the areas of structural biology, bioinformatics, phytochemistry and drug discovery. Chapters in the book cover multidisciplinary research to understand the molecular mechanisms involved in protein-protein/ligand interactions. It employs an integrative approach to identify the therapeutic targets for HIV, and cancer, pathogen and viral infection pathways and the identification of their potential drug candidates. The book also provides examples of computational molecular dynamics simulations to understand the conformational changes in the molecules. Some chapters are focused on exploring potent bioactive compounds from natural sources.This book can serve as a single source that covers several interdisciplinary research fields which will be beneficial to Researchers and students in postgraduate studies.
This volume of Current Topics in Membranes focuses on Membrane Protein Crystallization, beginning with a review of past successes and general trends, then further discussing challenges of mebranes protein crystallization, cell free production of membrane proteins and novel lipids for membrane protein crystallization. This publication also includes tools to enchance membrane protein crystallization, technique advancements, and crystallization strategies used for photosystem I and its complexes, establishing Membrane Protein Crystallization as a needed, practical reference for researchers.
Researchers in many disciplines face the formidable task of analyzing massive amounts of high-dimensional and highly-structured data. This is due in part to recent advances in data collection and computing technologies. As a result, fundamental statistical research is being undertaken in a variety of different fields. Driven by the complexity of these new problems, and fueled by the explosion of available computer power, highly adaptive, non-linear procedures are now essential components of modern "data analysis," a term that we liberally interpret to include speech and pattern recognition, classification, data compression and signal processing. The development of new, flexible methods combines advances from many sources, including approximation theory, numerical analysis, machine learning, signal processing and statistics. The proposed workshop intends to bring together eminent experts from these fields in order to exchange ideas and forge directions for the future.