Modelling Molecular Structure And Reactivity In Biological Systems
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Modelling Molecular Structure And Reactivity In Biological Systems
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Author : Kevin Naidoo
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Modelling Molecular Structure And Reactivity In Biological Systems written by Kevin Naidoo 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 2007-10-31 with Science categories.
Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.
Modelling Molecular Structure And Reactivity In Biological Systems
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Author :
language : en
Publisher:
Release Date : 2006
Modelling Molecular Structure And Reactivity In Biological Systems written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with categories.
Computational Modeling Of Biological Systems
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Author : Nikolay V Dokholyan
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-02-12
Computational Modeling Of Biological Systems written by Nikolay V Dokholyan 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 2012-02-12 with Science categories.
Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.
Atomistic Approaches In Modern Biology
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Author : Markus Reiher
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-01-08
Atomistic Approaches In Modern Biology written by Markus Reiher 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 2007-01-08 with Science categories.
With contributions by numerous experts
Tunnelling In Molecules
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Author : Johannes Kästner
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-09-22
Tunnelling In Molecules written by Johannes Kästner 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 2020-09-22 with Science categories.
Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of over it, this effect can lead to chemical reactions even close to the absolute zero, to atypical spectroscopic observations, to bizarre selectivity, or to colossal isotopic effects. Quantum mechanical tunnelling observations might be infrequent in chemistry, but it permeates through all its disciplines producing remarkable chemical outcomes. For that reason, the 21st century has seen a great increase in theoretical and experimental findings involving molecular tunnelling effects, as well as in novel techniques that permit their accurate predictions and analysis. Including experimental, computational and theoretical chapters, from the physical and organic to the biochemistry fields, from the applied to the academic arenas, this new book provides a broad and conceptual perspective on tunnelling reactions and how to study them. Quantum Tunnelling in Molecules is the obligatory stop for both the specialist and those new to this world.
Nuclear Science Abstracts
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Author :
language : en
Publisher:
Release Date : 1974
Nuclear Science Abstracts written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1974 with Nuclear energy categories.
Research Awards Index
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Author :
language : en
Publisher:
Release Date : 1987
Research Awards Index written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with Medicine categories.
Research Grants Index
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Author : National Institutes of Health (U.S.). Division of Research Grants
language : en
Publisher:
Release Date : 1968
Research Grants Index written by National Institutes of Health (U.S.). Division of Research Grants and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1968 with Medicine categories.
Techniques In Mathematical Modelling
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Author : Gautami Devar
language : en
Publisher: Educohack Press
Release Date : 2025-02-20
Techniques In Mathematical Modelling written by Gautami Devar and has been published by Educohack Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-20 with Science categories.
"Techniques in Mathematical Modelling" is a comprehensive textbook designed to provide students, researchers, and practitioners with a solid foundation in the principles, techniques, and applications of mathematical modelling. We cover a wide range of topics, from fundamental concepts and analytical techniques to validation methods and emerging trends. Each chapter includes practical examples, case studies, and exercises to reinforce learning and demonstrate real-world applications. Our book emphasizes the interdisciplinary nature of mathematical modelling, with applications in physics, biology, economics, engineering, social sciences, and more. We encourage hands-on learning through practical exercises, simulations, and projects, allowing readers to apply theoretical concepts to real-world scenarios. Additionally, we explore emerging trends and challenges in the field, including advancements in computational techniques, data analytics, and interdisciplinary collaborations. Written in clear and accessible language, "Techniques in Mathematical Modelling" caters to readers with varying levels of mathematical background, making it suitable for undergraduate and graduate students as well as professionals.
Nanoscience And Its Applications
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Author : Osvaldo de Oliveira Jr
language : en
Publisher: William Andrew
Release Date : 2016-12-30
Nanoscience And Its Applications written by Osvaldo de Oliveira Jr and has been published by William Andrew this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-30 with Technology & Engineering categories.
Nanoscience and Its Applications explores how nanoscience is used in modern industry to increase product performance, including an understanding of how these materials and systems, at the molecular level, provide novel properties and physical, chemical, and biological phenomena that have been successfully used in innovative ways in a wide range of industries. This book is an important reference source for early-career researchers and practicing materials scientists and engineers seeking a greater understanding on how nanoscience can be used in modern industries. - Provides a detailed overview of how nanoscience is used to increase product efficiency in a variety of fields, from agribusiness to medicine, - Shows how nanoscience can help product developers increase product performance whilst reducing costs - Illustrates how nanoscience has been used innovatively in a great variety of disciplines, giving those working in many different industries ideas as to how nanoscience might answer important questions