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Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design
Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.
Structural and Computational Glycobiology: Immunity and Infection
Interest in understanding the biological role of carbohydrates has increased significantly over the last 20 years. The use of structural techniques to understand carbohydrate-protein recognition is still a relatively young area, but one that is of emerging importance. The high flexibility of carbohydrates significantly complicates the determination of high quality structures of their complexes with proteins. Specialized techniques are often required to understand the complexity of carbohydrate recognition by proteins. In this Research Topic, we will focus on structural and computational approaches to understanding carbohydrate recognition by proteins involved in immunity and infection. Particular areas of focus include cancer immunotherapeutics, carbohydrate-lectin interactions, glycosylation and glycosyltransferases.
Structural Glycobiology
Structural Glycobiology covers the experimental, theoretical, and alternative technologies used in the study of the structural basis for the diverse biological roles of carbohydrates. The book overviews the application of specialized technologies to the study of carbohydrates in biology, reviews relevant and current research in the field, and is illustrated throughout by specific examples of how research investigations have yielded key structural and associated biological data on carbohydrates and glycolipids. In particular, the book focuses on: X-ray crystallography and small-angle scattering, NMR, and cryo-electron microscopy techniques Theoretical (modeling-based) approaches, such as molecular mechanics, molecular dynamics, free energy calculations, and carbohydrate docking Alternative techniques for yielding structural information on carbohydrates from complex biological samples Carbohydrates in medicine, specifically in areas that have been directly impacted by our understanding of the structural role of carbohydrates in immune recognition: cancer, organ transplantation, and infection
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Microbes at Bio/Nano Interfaces
Advances in Virus Research serial highlights new advances in the field with this new volume presenting interesting chapters. Each chapter is written by an international board of authors. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in Advances in Virus Research serials - Updated release includes the latest information on Microbes at bio/nano interfaces
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