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Molecular Modeling in Drug Design
Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecula...
Community Series in Recent Advances in Drosophila Cellular and Humoral Innate Immunity, volume II
The fruit fly Drosophila melanogaster is an established tool to study mechanisms of innate immunity. Drosophila flies and larvae launch elegant humoral and cellular innate immune responses against bacteria, viruses, fungi and parasites. The humoral immune response is based on microbial recognition primarily by peptidoglycan recognition proteins leading to the production of antimicrobial peptides (AMPs). In the past few decades, Drosophilists have dissected how flies react to systemic bacterial and fungal infections at the molecular level and shown how these mechanisms are conserved from human to man. Fly humoral immune response is mainly mediated by two evolutionarily conserved NF-κB signal...
Product-Focused Software Process Improvement
This book constitutes the refereed proceedings of the 9th International Conference on Product Focused Software Process Improvement, PROFES 2008, held in Monte Porzio Catone, Italy, in June 2008. The 31 revised full papers presented together with 4 reports on workshops and tutorials and 3 keynote addresses were carefully reviewed and selected from 61 submissions. The papers address different development modes, roles in the value chain, stakeholders’ viewpoints, collaborative development, as well as economic and quality aspects. The papers are organized in topical sections on quality and measurement, cost estimation, capability and maturity models, systems and software quality, software process improvement, lessons learned and best practices, and agile software development.
Virtual Drug Design
In the current drug research environment in academia and industry, cheminformatics and virtual screening methods are well established and integrated tools. Computational tools are used to predict a compound’s 3D structure, the 3D structure and function of a pharmacological target, ligand-target interactions, binding energies, and other factors essential for a successful drug. This includes molecular properties such as solubility, logP value, susceptibility to metabolism, cell permeation, blood brain barrier permeation, interaction with drug transporters and potential off-target effects. Given that approximately 40 million unique compounds are readily available for purchase, such computational modeling and filtering tools are essential to support the drug discovery and development process. The aim of all these calculations is to focus experimental efforts on the most promising candidates and exclude problematic compounds early in the project. In this Research Topic on virtual activity predictions, we cover several aspects of this research area such as historical perspectives, data sources, ligand treatment, virtual screening methods, hit list handling and filtering.
Computational Approaches in Biotechnology and Bioinformatics
Volume 1 of Computational Approaches in Bioengineering—Computational Approaches in Biotechnology and Bioinformatics—explores many significant topics of biomedical engineering and bioinformatics in an easily understandable format. It explores recent developments and applications in bioinformatics, biomechanics, artificial intelligence (AI), signal processing, wearable sensors, biomaterials, cell biology, synthetic biology, biostatistics, prosthetics, big data, and algorithms. From applications of biomaterials in advanced drug delivery systems to the role of big data, AI, and machine learning in disease diagnosis and treatment, the book will help readers understand how these technologies a...
Traditional Medicines in Drug Discovery and Development
This comprehensive book, comprising 20 chapters contributed by respected academics in their respective fields, highlights the immense contribution of traditional medicine to the discovery and development of modern drugs. Each chapter provides in-depth details, stimulating experts to further explore the flora used in traditional medicines and inspiring younger investigators to delve into the mysterious world of secondary metabolites in their quest for novel molecules. This book is of immense value to scientists, academicians, researchers, and students alike, making it a valuable addition to personal collections and libraries.
Product Focused Software Process Improvement
On behalf of the PROFES organizing committee we would like to welcome you to the 4th International Conference on Product Focused Software Process Impro- ment (PROFES 2002) in Rovaniemi, Finland. The conference was held on the Arctic Circle in exotic Lapland under the Northern Lights just before Christmas time, when Kaamos (the polar night is known in Finnish as ”Kaamos”) shows its best characteristics. PROFES has established itself as one of the recognized international process improvement conferences. Despite the current economic downturn, PROFES has attracted a record number of submissions. A total of 70 full papers were subm- ted and the program committee had a di?cult task in selecting the best papers to be presented at the conference. The main theme of PROFES is professional software process improvement (SPI) motivated by product and service quality needs. SPI is facilitated by so- ware process assessment, software measurement, process modeling, and techn- ogy transfer. It has become a practical tool for quality software engineering and management. The conference addresses both the solutions found in practice and the relevant research results from academia.
New Trends in Software Methodologies, Tools and Techniques
Publisher description: "Software is the essential enabler for the new economy and for science. It creates new markets and new directions for a more reliable, flexible and robust society. It empowers the exploration of our world in ever more depth. However, software often falls short of our expectations. Current software methodologies, tools, and techniques remain expensive and not yet reliable enough for a highly changeable and evolutionary market. Many approaches have been proven only as case-by-case oriented methods. This book, as part of the SOMET series, presents new trends and theories in the direction in which we believe software science and engineering may develop to transform the role of software and science integration in tomorrow's global information society. This book is an attempt to capture the essence on a new state of art in software science and its supporting technology. The book also aims at identifying the challenges such a technology has to master. One of the important issues addressed by this book is software development security tools and techniques.".
Basics in Business Informatics
This book takes you on a journey into the world of business informatics. It has a modular structure and covers the key aspects of business informatics. Besides the thematic introductions, each chapter includes excursuses, review questions, and practical exercises, for which solutions are provided in a separate chapter. The book concludes with two teaching cases on digital transformation. It is designed for students and lecturers at universities and technical colleges, but also as a resource for IT trainings.
