Mathematical Descriptors Of Molecules And Biomolecules
DOWNLOAD
Download Mathematical Descriptors Of Molecules And Biomolecules PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Mathematical Descriptors Of Molecules And Biomolecules book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Mathematical Descriptors Of Molecules And Biomolecules
DOWNLOAD
Author : Subhash C. Basak
language : en
Publisher: Springer Nature
Release Date : 2024-09-02
Mathematical Descriptors Of Molecules And Biomolecules written by Subhash C. Basak and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-02 with Science categories.
This book provides an up-to-date overview of data driven and evidence-based empirical approaches in the efficient application of chemodescriptors and biodescriptors. Currently there is a steady increase in the use of data analytics and model-based decision support systems in basic and applied research in chemoinformatics, bioinformatics, pharmaceutical drug design, predictive toxicology, and computational biology. Since there are a plethora of modeling methods and a large number of chemodescriptors and biodescriptors available today, robust statistical and machine learning methods are applied throughout. In addition, the development of statistically robust predictive models in rank deficient cases using chemodescrip tors and biodescriptors is discussed. Readers are provided with an up-to-date overview of the theoretical background, calculation methods, and proper use of chemodescriptors and biodescriptors in model building, with special emphasis on computer-assisted organic synthesis, new drug discovery, hazard assessment of chemicals, and computational biology of emerging global pathogens. The book also discusses the applications of alignment-free sequence descriptors (AFSDs) in vaccine design and the characterization of emerging global pathogens such as the Zika virus and SARS-CoV-2. The utility of molecular fragment-based descriptors in building useful quantitative structure-activity relationship (Q)SAR) models is detailed as is the use of mathematical structural descriptors in chemical synthesis planning.
Advances In Mathematical Chemistry And Applications Volume 1
DOWNLOAD
Author : Subhash C. Basak
language : en
Publisher: Elsevier
Release Date : 2016-02-11
Advances In Mathematical Chemistry And Applications Volume 1 written by Subhash C. Basak and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-02-11 with Science categories.
Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology
Advances In Clinical Immunology Medical Microbiology Covid 19 And Big Data
DOWNLOAD
Author : Raj Bawa
language : en
Publisher: CRC Press
Release Date : 2021-12-22
Advances In Clinical Immunology Medical Microbiology Covid 19 And Big Data written by Raj Bawa and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-12-22 with Medical categories.
The pace and sophistication of advances in medicine in the past two decades have necessitated a growing need for a comprehensive reference that highlights current issues in medicine. Each volume in the Current Issues in Medicine series is a stand‐alone text that provides a broad survey of various critical topics—all accomplished in a user-friendly yet interconnected format. The series not only highlights current advances but also explores related topics such as translational medicine, regulatory science, neglected diseases, global pandemics, patent law, immunotoxicology, theranostics, big data, artificial intelligence, novel imaging tools, combination drug products, and novel therapies. While bridging the gap between basic research and clinical medicine, this series provides a thorough understanding of medicine’s potential to address health problems from both the patient’s and the provider’s perspectives in a healthcare setting. The range of topics covered and the expertise of the contributing authors accurately reflect the rapidly evolving areas within medicine—from basic medical sciences to clinical specialties. Each volume is essential reading for physicians, medical students, nurses, fellows, residents, undergraduate and graduate students, educators, policymakers, and biomedical researchers. The multidisciplinary approach of the series makes it a valuable reference resource for the pharmaceutical industry, academia, and governments. However, unlike other series on medicine or medical textbooks, this series focuses on current trends, perspectives, and issues in medicine that are central to healthcare delivery in the 21st century. Volume 2 focuses on the current issues in basic medical sciences, subjects that are fundamental to the practice of medicine. Specifically, it discusses clinical immunology, medical microbiology, COVID-19, and big data. These subjects, traditionally taught in the first two years of medical school that precede clinical instruction, provide a core of basic knowledge critical to the success in clinical medicine during rotations, training, and medical practice.
Quantum Chemistry Simulation Of Biological Molecules
DOWNLOAD
Author : Eudenilson L. Albuquerque
language : en
Publisher: Cambridge University Press
Release Date : 2021-02-11
Quantum Chemistry Simulation Of Biological Molecules written by Eudenilson L. Albuquerque and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-11 with Science categories.
This book covers quantum chemical simulation of molecular systems and their quantum chemical properties, alongside the most cutting-edge biomedical applications.
Mathematical Approaches To Molecular Structural Biology
DOWNLOAD
Author : Subrata Pal
language : en
Publisher: Elsevier
Release Date : 2022-11-19
Mathematical Approaches To Molecular Structural Biology written by Subrata Pal and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-19 with Science categories.
Mathematical Approaches to Molecular Structural Biology offers a comprehensive overview of the mathematical foundations behind the study of biomolecular structure. Initial chapters provide an introduction to the mathematics associated with the study of molecular structure, such as vector spaces and matrices, linear systems, matrix decomposition, vector calculus, probability and statistics. The book then moves on to more advanced areas of molecular structural biology based on the mathematical concepts discussed in earlier chapters. Here, key methods such as X-ray crystallography and cryo-electron microscopy are explored, in addition to biomolecular structure dynamics within the context of mathematics and physics. This book equips readers with an understanding of the fundamental principles behind structural biology, providing researchers with a strong groundwork for further investigation in both this and related fields. - Includes a detailed introduction to key mathematical principles and their application to molecular structural biology - Explores the mathematical underpinnings behind advanced techniques such as X-ray crystallography and Cryo-electron microscopy - Features step-by-step protocols that illustrate mathematical and statistical principles for studying molecular structure and dynamics - Provides a basis for further investigation into the field of computational molecular biology - Includes figures and graphs throughout to visually demonstrate the concepts discussed
Mathematical Biology
DOWNLOAD
Author : Ronald W. Shonkwiler
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-08-04
Mathematical Biology written by Ronald W. Shonkwiler 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 2009-08-04 with Science categories.
This text presents mathematical biology as a field with a unity of its own, rather than only the intrusion of one science into another. The book focuses on problems of contemporary interest, such as cancer, genetics, and the rapidly growing field of genomics.
An Introduction To The Mathematics Of Biology With Computer Algebra Models
DOWNLOAD
Author : Edward K. Yeargers
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-12-01
An Introduction To The Mathematics Of Biology With Computer Algebra Models written by Edward K. Yeargers 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 2013-12-01 with Mathematics categories.
Biology is a source of fascination for most scientists, whether their training is in the life sciences or not. In particular, there is a special satisfaction in discovering an understanding of biology in the context of another science like mathematics. Fortunately there are plenty of interesting (and fun) problems in biology, and virtually all scientific disciplines have become the richer for it. For example, two major journals, Mathematical Biosciences and Journal of Mathematical Biology, have tripled in size since their inceptions 20-25 years ago. The various sciences have a great deal to give to one another, but there are still too many fences separating them. In writing this book we have adopted the philosophy that mathematical biology is not merely the intrusion of one science into another, but has a unity of its own, in which both the biology and the math ematics should be equal and complete, and should flow smoothly into and out of one another. We have taught mathematical biology with this philosophy in mind and have seen profound changes in the outlooks of our science and engineering students: The attitude of "Oh no, another pendulum on a spring problem!," or "Yet one more LCD circuit!" completely disappeared in the face of applications of mathematics in biology. There is a timeliness in calculating a protocol for ad ministering a drug.
Medicinal Chemistry
DOWNLOAD
Author : Thomas Nogrady
language : en
Publisher: Oxford University Press
Release Date : 2005-08-11
Medicinal Chemistry written by Thomas Nogrady and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-08-11 with Medical categories.
Fully updated and rewritten by a basic scientist who is also a practicing physician, the third edition of this popular textbook remains comprehensive, authoritative and readable. Taking a receptor-based, target-centered approach, it presents the concepts central to the study of drug action in a logical, mechanistic way grounded on molecular and principles. Students of pharmacy, chemistry and pharmacology, as well as researchers interested in a better understanding of drug design, will find this book an invaluable resource. Starting with an overview of basic principles, Medicinal Chemistry examines the properties of drug molecules, the characteristics of drug receptors, and the nature of drug-receptor interactions. Then it systematically examines the various families of receptors involved in human disease and drug design. The first three classes of receptors are related to endogenous molecules: neurotransmitters, hormones and immunomodulators. Next, receptors associated with cellular organelles (mitochondria, cell nucleus), endogenous macromolecules (membrane proteins, cytoplasmic enzymes) and pathogens (viruses, bacteria) are examined. Through this evaluation of receptors, all the main types of human disease and all major categories of drugs are considered. There have been many changes in the third edition, including a new chapter on the immune system. Because of their increasingly prominent role in drug discovery, molecular modeling techniques, high throughput screening, neuropharmacology and genetics/genomics are given much more attention. The chapter on hormonal therapies has been thoroughly updated and re-organized. Emerging enzyme targets in drug design (e.g. kinases, caspases) are discussed, and recent information on voltage-gated and ligand-gated ion channels has been incorporated. The sections on antihypertensive, antiviral, antibacterial, anti-inflammatory, antiarrhythmic, and anticancer drugs, as well as treatments for hyperlipidemia and peptic ulcer, have been substantially expanded. One new feature will enhance the book's appeal to all readers: clinical-molecular interface sections that facilitate understanding of the treatment of human disease at a molecular level.
Systems Biology And Livestock Science
DOWNLOAD
Author : Marinus te Pas
language : en
Publisher: John Wiley & Sons
Release Date : 2011-12-20
Systems Biology And Livestock Science written by Marinus te Pas and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-12-20 with Science categories.
Systems Biology is an interdisciplinary approach to the study of life made possible through the explosion of molecular data made available through the genome revolution and the simultaneous development of computational technologies that allow us to interpret these large data sets. Systems Biology has changed the way biological science views and studies life and has been implemented in research efforts across the biological sciences. Systems Biology and Livestock Science will be the first book to review the latest advances using this research methodology in efforts to improve the efficiency, health, and quality of livestock production. Systems Biology and Livestock Science opens with useful introductory chapters explaining key systems biology principles. The chapters then progress to look at specific advances in fields across livestock science. Coverage includes, but is not limited to, chapters on systems biology approaches to animal nutrition, reproduction, health and disease, and animal physiology. Written by leading researchers in the field, Systems Biology and Livestock Science, will be an invaluable resource to researchers, professionals, and advance students working in this rapidly developing discipline.
Petascale Computing
DOWNLOAD
Author : David A. Bader
language : en
Publisher: CRC Press
Release Date : 2007-12-22
Petascale Computing written by David A. Bader and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-22 with Computers categories.
Although the highly anticipated petascale computers of the near future will perform at an order of magnitude faster than today's quickest supercomputer, the scaling up of algorithms and applications for this class of computers remains a tough challenge. From scalable algorithm design for massive concurrency toperformance analyses and scientific vis