Computer Aided Vaccine Design
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Computer Aided Vaccine Design
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Author : Joo Chuan Tong
language : en
Publisher: Elsevier
Release Date : 2013-07-31
Computer Aided Vaccine Design written by Joo Chuan Tong and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-31 with Medical categories.
Computational pre-screening of antigens is now routinely applied to the discovery of vaccine candidates.Computer-aided vaccine design is a comprehensive introduction to this exciting field of study. The book is intended to be a textbook for researchers and for courses in bioinformatics, as well as a laboratory reference guide. It is written mainly for biologists who want to understand the current methods of computer-aided vaccine design. The contents are designed to help biologists appreciate the underlying concepts and algorithms used, as well as limitations of the methods and strategies for their use. Chapters include: MHC and T cell responses; Immunoglobulins and B cell responses; Scientific publications and databases; Database design; Computational T cell vaccine design; Computational B cell vaccine design; infectious disease informatics; Vaccine safety and quality assessments; and Vaccine adjuvant informatics. - Essential reading for any biologist who wants to understand methods of computer-aided vaccine design - Description of available data sources and publicly available software, with detailed analysis of strengths and weaknesses - Theoretical concepts and practical examples of database design and development for a virtual screening campaign
Computer Aided Drug Design
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Author : Dev Bukhsh Singh
language : en
Publisher: Springer Nature
Release Date : 2020-10-09
Computer Aided Drug Design written by Dev Bukhsh Singh and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-09 with Medical categories.
This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.
Drug Design
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Author : Darren R. Flower
language : en
Publisher: Royal Society of Chemistry
Release Date : 2002
Drug Design written by Darren R. Flower and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with Medical categories.
Pharmaceutical research draws on increasingly complex techniques to solve the challenges of drug design. Bringing together a number of the latest informatics techniques, this book looks at modelling and bioinformatic strategies; structural genomics and X-ray crystallography; virtual screening; lead optimisation; ADME profiling and vaccine design. A number of relevant case studies, focussing on techniques that have demonstrated their use, will concentrate on G-protein coupled receptors as potential disease targets. Providing details of state-of-the-art research, Drug Design: Cutting Edge Approaches will be invaluable to all drug discovery scientists, including medicinal and combinatorial chemists, molecular modellers, bio- and chemoinformaticians, and pharmacologists, amongst others. University and pharmaceutical company libraries will also benefit from having a copy on their shelves.
Scientific Modeling And Simulations
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Author : Sidney Yip
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-04-07
Scientific Modeling And Simulations written by Sidney Yip and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-04-07 with Science categories.
Although computational modeling and simulation of material deformation was initiated with the study of structurally simple materials and inert environments, there is an increasing demand for predictive simulation of more realistic material structure and physical conditions. In particular, it is recognized that applied mechanical force can plausibly alter chemical reactions inside materials or at material interfaces, though the fundamental reasons for this chemomechanical coupling are studied in a material-speci c manner. Atomistic-level s- ulations can provide insight into the unit processes that facilitate kinetic reactions within complex materials, but the typical nanosecond timescales of such simulations are in contrast to the second-scale to hour-scale timescales of experimentally accessible or technologically relevant timescales. Further, in complex materials these key unit processes are “rare events” due to the high energy barriers associated with those processes. Examples of such rare events include unbinding between two proteins that tether biological cells to extracellular materials [1], unfolding of complex polymers, stiffness and bond breaking in amorphous glass bers and gels [2], and diffusive hops of point defects within crystalline alloys [3].
Vaccine Design
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Author : Sunil Thomas
language : en
Publisher: Springer Nature
Release Date : 2021-12-16
Vaccine Design written by Sunil Thomas and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-12-16 with Science categories.
This volume provides a practical guide providing step-by-step protocol to design and develop vaccines for human diseases. Divided into three volumes, Volume 1: Vaccines for Human Diseases guides readers through an introductory section on future challenges for vaccinologists and the immunological mechanism of vaccines. Chapters focus on design of human vaccines for viral, bacterial, fungal, and parasitic diseases as well as tumor vaccines. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary materials and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and practical, Vaccine Design: Methods and Protocols, Second Edition, Volume 1: Vaccines for Human Diseases aims to be a useful practical guide to researchers to help further their study in this field.
Computational Vaccine Design
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Author : Pedro A. Reche
language : en
Publisher: Springer Nature
Release Date : 2023-05-31
Computational Vaccine Design written by Pedro A. Reche and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-31 with Science categories.
This volume explores computational vaccine design and the technologies that support it. Chapters have been divided into four parts detailing immunonics and system immunology, databases, prediction of antigenicity and immunogenicity, and computational vaccinology. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary materials and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Vaccine Design: Methods and Protocols aims to reflect on the rigorous and imaginative use of computational technologies to help catalyze future efforts and to improve global public health through the development of a broad range of novel vaccines.
Molecular Docking For Computer Aided Drug Design
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Author : Mohane S. Coumar
language : en
Publisher: Academic Press
Release Date : 2021-02-17
Molecular Docking For Computer Aided Drug Design written by Mohane S. Coumar and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-17 with Medical categories.
Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. - Covers the latest information and state-of-the-art trends in structure-based drug design methodologies - Includes case studies that complement learning - Consolidates fundamental concepts and current practice of molecular docking into one convenient resource
Computer Aided And Machine Learning Driven Drug Design
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Author : Vinícius Gonçalves Maltarollo
language : en
Publisher: Springer Nature
Release Date : 2025-02-27
Computer Aided And Machine Learning Driven Drug Design written by Vinícius Gonçalves Maltarollo and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-27 with Science categories.
The computer-aided drug design research field comprises several different knowledge areas, and often, researchers are only familiar or experienced with a small fraction of them. Indeed, pharmaceutical industries and large academic groups rely on a broad range of professionals, including chemists, biologists, pharmacists, and computer scientists. In this sense, it is difficult to be an expert in every single CADD approach. Furthermore, there are well-established methods that are constantly revisited, and novel approaches are introduced, such as machine-learning based scoring functions for molecular docking. This book provides an organized update of the most commonly employed CADD techniques, as well as successful examples of actual applications to develop bioactive compounds/drug candidates. Also includes is a section of case studies that cover certain pharmacological/target classes, focusing on the applications of the previously described methods. This part will especially appeal to professionals who are not as interested in the theoretical aspects of CADD. This is an ideal book for students, researchers, and industry professionals in the fields of pharmacy, chemistry, biology, bioinformatics, computer sciences, and medicine who are seeking a go-to reference on drug design and medicinal chemistry.
Computer Aided Antibody Design
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Author : Kouhei Tsumoto
language : en
Publisher: Springer Nature
Release Date : 2022-11-08
Computer Aided Antibody Design written by Kouhei Tsumoto and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-08 with Medical categories.
This volume details state-of-the- art methods on computer-aided antibody design. Chapters guide readers through information on antibody sequences and structures, modeling antibody structures and dynamics, prediction and optimization of biological and biophysical properties of antibodies, prediction of antibody-antigen interactions, and computer-aided antibody affinity maturation and beyond. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary materials and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computer-Aided Antibody Design aims to be a useful and practical guide to new researchers and experts looking to expand their knowledge. Chapter 2 is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.
Computational Immunology
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Author : Shyamasree Ghosh
language : en
Publisher: CRC Press
Release Date : 2020-01-31
Computational Immunology written by Shyamasree Ghosh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-31 with Medical categories.
Computational Immunology: Applications focuses on different mathematical models, statistical tools, techniques, and computational modelling that helps in understanding complex phenomena of the immune system and its biological functions. The book also focuses on the latest developments in computational biology in designing of drugs, targets, biomarkers for early detection and prognosis of a disease. It highlights the applications of computational methods in deciphering the complex processes of the immune system and its role in health and disease. This book discusses the most essential topics, including Next generation sequencing (NGS) and computational immunology Computational modelling and biology of diseases Drug designing Computation and identification of biomarkers Application in organ transplantation Application in disease detection and therapy Computational methods and applications in understanding of the invertebrate immune system S Ghosh is MSc, PhD, PGDHE, PGDBI, is PhD from IICB, CSIR, Kolkata, awarded the prestigious National Scholarship from the Government of India. She has worked and published extensively in glycobiology, sialic acids, immunology, stem cells and nanotechnology. She has authored several publications that include books and encyclopedia chapters in reputed journals and books.