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Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations.[1, 2] The term Amber is also used to refer to the empirical force fields that are implemented here.[3, 4] It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the ...
Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. The term Amber is also used to refer to the empirical force fields that are implemented here. It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the codes are di...
The field of material analysis has seen explosive growth during the past decades. Almost all the textbooks on materials analysis have a section devoted to the Fourier transform theory. For this reason, the book focuses on the material analysis based on Fourier transform theory. The book chapters are related to FTIR and the other methods used for analyzing different types of materials. It is hoped that this book will provide the background, reference and incentive to encourage further research and results in this area as well as provide tools for practical applications. It provides an applications-oriented approach to materials analysis written primarily for physicist, Chemists, Agriculturalists, Electrical Engineers, Mechanical Engineers, Signal Processing Engineers, and the Academic Researchers and for the Graduate Students who will also find it useful as a reference for their research activities.
This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is structured in six chapters, each of which discusses different molecular simulation methodologies and provides concrete examples of complexes interactions. In each chapter authors give an overview of the treated subject, a description of the methodologies used, and a discussion of the results. The authors describe computational ways to achieve a rational design of bioactive compounds with various therapeutic applications, including antitumoral agents, antitubercular drugs, nonsteroidal anti-inflammatory drugs, and radiopharmaceuticals.
Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. The term Amber is also used to refer to the empirical force fields that are implemented here. It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the codes are di...
The Advances in Chemical Physics series the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Multidimensional Incoherent Time-Resolved Spectroscopy and Co...
Microarray Image and Data Analysis: Theory and Practice is a compilation of the latest and greatest microarray image and data analysis methods from the multidisciplinary international research community. Delivering a detailed discussion of the biological aspects and applications of microarrays, the book: Describes the key stages of image processing, gridding, segmentation, compression, quantification, and normalization Features cutting-edge approaches to clustering, biclustering, and the reconstruction of regulatory networks Covers different types of microarrays such as DNA, protein, tissue, and low- and high-density oligonucleotide arrays Examines the current state of various microarray technologies, including their availability and affordability Explains how data generated by microarray experiments are analyzed to obtain meaningful biological conclusions An essential reference for academia and industry, Microarray Image and Data Analysis: Theory and Practice provides readers with valuable tools and techniques that extend to a wide range of biological studies and microarray platforms.
This book brings a broad review of recent global developments in theory, instrumentation, and practical applications of electron microscopy. It was created by 13 contributions from experts in different fields of electron microscopy and technology from over 20 research institutes worldwide.
Written primarily for students embarking on an undergraduate bioscience degree, this primer introduces students to the essential topics in protein science clearly and concisely by describing the basic chemical structure of proteins, the factors that stabilize protein structures, proteinfunction, and protein evolution.It begins by placing proteins in their general context in life. They are synthesized as amino-acid sequences encoded in genomes, and fold spontaneously to three-dimensional structures. This is the point where life makes the tremendous leap from the one-dimensional world of genome and amino-acidsequences, to the three-dimensional world of protein structures - indeed, the world wh...
This book includes selected peer-reviewed papers presented at the International Conference on Trends in Electronics and Health Informatics (TEHI 2022), held at University of Puebla, Puebla, México, during December 7–9, 2022. The book is broadly divided into five sections—artificial intelligence and soft computing, healthcare informatics, Internet of things and data analytics, electronics, and communications.