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This essential volume explores a variety of tools and protocols of structure-based (homology modeling, molecular docking, molecular dynamics, protein-protein interaction network) and ligand-based (pharmacophore mapping, quantitative structure-activity relationships or QSARs) drug design for ranking and prioritization of candidate molecules in search of effective treatment strategy against coronaviruses. Beginning with an introductory section that discusses coronavirus interactions with humanity and COVID-19 in particular, the book then continues with sections on tools and methodologies, literature reports and case studies, as well as online tools and databases that can be used for computational anti-coronavirus drug research. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical detail and implementation advice that ensures high quality results in the lab. Comprehensive and timely, In Silico Modeling ofDrugs Against Coronaviruses: Computational Tools and Protocols is an ideal reference for researchers working on the development of novel anti-coronavirus drugs for SARS-CoV-2 and for coronaviruses that will likely appear in the future.
Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition's publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed.
Reduced Order Models for the Biomechanics of Living Organs, a new volume in The Biomechanics of Living Organisms series, provides a comprehensive overview of the state-of-the-art in biomechanical computations using reduced order models, along with a deeper understanding of the associated reduction algorithms that will face students, researchers, clinicians and industrial partners in the future. The book gathers perspectives from key opinion scientists who describe and detail their approaches, methodologies and findings. It is the first to synthesize complementary advances in Biomechanical modelling of living organs using reduced order techniques in the design of medical devices and clinical interventions, including surgical procedures. This book provides an opportunity for students, researchers, clinicians and engineers to study the main topics related to biomechanics and reduced models in a single reference, with this volume summarizing all biomechanical aspects of each living organ in one comprehensive reference.
This issues contents includes: Editor's Letter>Modeling NFT Investor Behavior Using Belief Dissensus>Modelling & Simulation of a Rivet Shaving Process for the Protection of the Aerospace Industry Against Cyber-threats Martin Praddaude, Nicolas Hogrel, Matthieu Gay, Ulrike Baumann, and Adrien Bécue Complex Simulation Workflows in Containerized High-Performance Environment>Augmented Reality Implementation for Comfortable Adaptation of Disabled Personnel to the Production Workplace>Designing an Emergency Information System for an Emergency Information System for Catastrophic Natural Situations>A Return to "A Complexity Context to Classroom Interactions and Climate Impact on Achievement"Joseph Cochran and Liz Johnson
Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive are also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.
This Book Includes: Machine Learning: A Comprehensive, Step-by-Step Guide to Learning and Understanding Machine Learning Concepts, Technology and Principles for BeginnersMachine Learning: A Comprehensive, Step-by-Step Guide to Intermediate Concepts and Techniques in Machine LearningMachine Learning: A Comprehensive, Step-by-Step Guide to Learning and Applying Advanced Concepts and Techniques in Machine LearningMachine Learning: A Complete Exploration of Highly Advanced Machine Learning Concepts, Best Practices and TechniquesBuy the Paperback version of this book, and get the Kindle eBOOK version for FREEGraphics in this book are printed in black and white.Machines are created to make work easier for us, but so many have seen machines as a major barrier due to their supposed technicality of machines.Are you a novice trying to understand the basics of machine?Do you have prior knowledge and you wish to acquire further understanding about tensorFlow, scikit- learn, algorithms, decision trees, random forest, deep learning or neural networks?Are you even a pro and you wish to add to your knowledge?This book is all you need. This painstakingly compiled manuscript unravels the rudiments and generality of machine learning. It is total and all encompassing with accurate and concise principles of machine learning. This quintessential book comprises modules that cut across various level of knowledge in machine learning. It is an exquisite material that grants you practical knowledge in machines. It weighs more than mere words, it is gold in manuscript.You might not know how much you know or how much you need to know until you avail yourself with essential materials. This book is not one of all you need to understand machine learning; it is all you need to uncover the full scope of learning machines.Technicality is very relative when you have the right knowledge. Stay ahead; make a choice that will last. Would You Like To Know More?Scroll to the top of the page and select the buy now button.
This book presents an innovative, unique and holistic approach to modeling and simulation approaches in healthcare management. From system architecture to modeling methodology, this book shows how to improve patient health and costs of care via the design and implementation of an efficient infrastructure.
The papers in this volume were selected for presentation at the 16th Int- national Meshing Roundtable (IMR), held October 14-17, 2007 in Seattle, Washington, USA. The conference was started by Sandia National Labora- riesin1992asasmallmeetingoforganizationsstrivingtoestablishacommon focus for research and development in the ?eld of mesh generation. Now after 16 consecutive years, the International Meshing Roundtable has become r- ognized as an international focal point annually attended by researchers and developers from dozens of countries around the world. The 16th International Meshing Roundtable consists of technical pres- tations from contributed papers, keynote and invited talks, short course p- sentations, and a poster session and competition. The Program Committee would like to express its appreciation to all who participate to make the IMR a successful and enriching experience. The papers in these proceedings were selected from among 41 submissions by the Program Committee. Based on input from peer reviews, the committee selected these papers for their perceived quality, originality, and appropria- ness to the theme of the International Meshing Roundtable. We would like to thank all who submitted papers. We would also like to thank the colleagues who provided reviews of the submitted papers. The names of the reviewers are acknowledged in the following pages. We extend special thanks to Lynn Washburn, Bernadette Watts, and Jacqueline Finley for their time and e?ort to make the 16th IMR another outstanding conference.
This two volume set (CCIS 398 and 399) constitutes the refereed proceedings of the International Symposium on Geo-Informatics in Resource Management and Sustainable Ecosystem, GRMSE 2013, held in Wuhan, China, in November 2013. The 136 papers presented, in addition to 4 keynote speeches and 5 invited sessions, were carefully reviewed and selected from 522 submissions. The papers are divided into 5 sessions: smart city in resource management and sustainable ecosystem, spatial data acquisition through RS and GIS in resource management and sustainable ecosystem, ecological and environmental data processing and management, advanced geospatial model and analysis for understanding ecological and environmental process, applications of geo-informatics in resource management and sustainable ecosystem.
The initial ideas behind this edited volume started in spring of 1998 - some two years before the sixtieth birthday of Bernard P. Zeigler. The idea was to bring together distinguished researchers, colleagues, and former students of Professor Zeigler to present their latest findings at the AIS' 2000 conference. During the spring of 1999, the initial ideas evolved into creating a volume of articles surrounding seminal concepts pertaining to modeling and simulation as proposed, developed, and advocated by Professor Zeigler throughout his scientific career. Also included would be articles describing progress covering related aspects of software engineering and artificial intelligence. As this volume is emphasizing concepts and ideas spawned by the work of Bernard P. Zeigler, it is most appropriate to offer a biographical sketch of his scientific life, thus putting into a historical perspective the contributions presented in this volume as well as new research directions that may lie ahead! Bernard P. Zeigler was born March 5, 1940, in Montreal, Quebec, Canada, where he obtained his bachelor's degree in engineering physics in 1962 from McGill University. Two years later, having completed his MS degree in electrical engineering at the Massachusetts Institute of Technology, he spent a year at the National Research Council in Ottawa. Returning to academia, he became a Ph. D. student in computer and communication sciences at the University of Michigan, Ann Arbor.
The goal of this book is to present the most advanced research works in realistic computer generated images. It is made up of the papers presented during a Eurographics workshop that has been held in Rennes (France) on June 1990. Although realism in computer graphics has existed for many years, we have considered that two research directions can now clearly be identified. One makes use of empirical methods to efficiently create images that look real. As opposed to this approach, the other orientation makes use of physics to produce images that are exact representations of the real world (at the expense of additional processing time), hence the term photosimulation which indeed was the subject of this book. The objectives of this workshop were to assemble experts from physics and computer graphics in order to contribute to the introduction of physics-based approaches in the field of computer generated images. The fact that this workshop was the first entirely devoted to this topic was a bet and fortunately it turned out that it was a success. The contents of this book is organized in five chapters: Efficient Ray Tracing Meth- ods, Theory of Global Illumination Models, Photometric Algorithms, Form-Factor Cal- culations and Physics-Based Methods.
This volume contains the papers presented at the International Workshop "e;Information Fusion and Geographic Information Systems"e; (IF&GIS'09) held in St. Petersburg, Russia in May 2009. The workshop was organized by the St. Petersburg Institute for Informatics and Automation of the Russian Academy of Sciences (SPIIRAS). The workshop continues a series organised biannually, and attracts academics and industrials from a wide range of disciplines including computer science, geography, statistics, mathematics, hydrography, geomorphology, and environmental sciences. The objective of this workshop is to provide a forum for innovative research oriented towards Geographic Information Science and tech- logies and Corporate Information Systems whose close association highlight novel theoretical and practical challenges. The papers selected by the International Program Committee cover a wide range of innovative areas including ontological and semantic approaches for the representation of geographical data, geographical data monitoring, situation management and forecast, to emerging applications oriented to the maritime environment, disaster management and security threats. While traditional topics of GIS conferences are well represented and still being advanced, several new domains appear and stress the need for the development of versatile monitoring systems and decision making systems. While GIS already have a de facto standard for geographical monitoring and analysis, the papers accepted in this volume also illustrate several novel directions of application whose objective is more closely oriented to process modeling and decision making, and where the nature of the objects represented is revisited using ontological and semantic approaches.
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