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Thermodynamics And Kinetics Of Drug Binding

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Thermodynamics And Kinetics Of Drug Binding

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Author : György Keserü
language : en
Publisher: John Wiley & Sons
Release Date : 2015-03-09

Thermodynamics And Kinetics Of Drug Binding written by György Keserü 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 2015-03-09 with Medical categories.

This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.

Thermodynamics And Kinetics Of Drug Binding

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Author : György Keserü
language : en
Publisher: John Wiley & Sons
Release Date : 2015-08-17

Drug Receptor Thermodynamics

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Author : Robert B. Raffa
language : en
Publisher: Wiley
Release Date : 2001-06-08

Drug Receptor Thermodynamics written by Robert B. Raffa and has been published by Wiley this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-06-08 with Medical categories.

Drug-Receptor Thermodynamics is the first book to provide in depth coverage of principles and applications of thermodynamic drug-receptor interactions. The book starts from familiar points, making thermodynamics accessible to anyone interested in how drugs work. The ideas presented cover general principles as well as laying the groundwork for new ways of examining drug action. * covers an area of increasing interest and relevance in the field of drug design and discovery * excellent explanation of why thermodynamics is at the heart of drug action * contributions from many of the worlds leading experts in the field Anyone interested in drug receptor interaction will find something of use in this book. It will be of particular relevance for pharmacologists, health science researchers and medicinal chemists.

Mechanisms Thermodynamics And Kinetics Of Ligand Binding Revealed From Molecular Simulations And Machine Learning

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Author : Yinglong Miao
language : en
Publisher: Frontiers Media SA
Release Date : 2023-02-24

Mechanisms Thermodynamics And Kinetics Of Ligand Binding Revealed From Molecular Simulations And Machine Learning written by Yinglong Miao and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-02-24 with Science categories.

Free Energy Calculations

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Author : Christophe Chipot
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-01-08

Free Energy Calculations written by Christophe Chipot 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 Language Arts & Disciplines categories.

Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.

Biophysical Chemistry

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Author : James P. Allen
language : en
Publisher: John Wiley & Sons
Release Date : 2009-01-26

Biophysical Chemistry written by James P. Allen 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 2009-01-26 with Science categories.

"Biophysical Chemistry is an outstanding book that delivers both fundamental and complex biophysical principles, along with an excellent overview of the current biophysical research areas, in a manner that makes it accessible for mathematically and non-mathematically inclined readers." (Journal of Chemical Biology, February 2009) This text presents physical chemistry through the use of biological and biochemical topics, examples and applications to biochemistry. It lays out the necessary calculus in a step by step fashion for students who are less mathematically inclined, leading them through fundamental concepts, such as a quantum mechanical description of the hydrogen atom rather than simply stating outcomes. Techniques are presented with an emphasis on learning by analyzing real data. Presents physical chemistry through the use of biological and biochemical topics, examples and applications to biochemistry Lays out the necessary calculus in a step by step fashion for students who are less mathematically inclined Presents techniques with an emphasis on learning by analyzing real data Features qualitative and quantitative problems at the end of each chapter All art available for download online and on CD-ROM

Comprehensive Medicinal Chemistry Iii

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Author :
language : en
Publisher: Elsevier
Release Date : 2017-06-03

Comprehensive Medicinal Chemistry Iii written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-03 with Technology & Engineering categories.

Comprehensive Medicinal Chemistry III, Eight Volume Set provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recently identified new areas where medicinal chemistry is having an impact. The discipline of medicinal chemistry continues to evolve as it adapts to new opportunities and strives to solve new challenges. These include drug targeting, biomolecular therapeutics, development of chemical biology tools, data collection and analysis, in silico models as predictors for biological properties, identification and validation of new targets, approaches to quantify target engagement, new methods for synthesis of drug candidates such as green chemistry, development of novel scaffolds for drug discovery, and the role of regulatory agencies in drug discovery. Reviews the strategies, technologies, principles, and applications of modern medicinal chemistry Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs

Biophysical Approaches Determining Ligand Binding To Biomolecular Targets

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Author : Alberto Podjarny
language : en
Publisher: Royal Society of Chemistry
Release Date : 2011

Biophysical Approaches Determining Ligand Binding To Biomolecular Targets written by Alberto Podjarny 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 2011 with Science categories.

This book provides a complete overview of current techniques to identify ligands, characterize their binding sites, and understand binding mechanisms. Suitable for biomolecular scientists at graduate or post-doctoral level in academia and industry.

Economics And Thermodynamics

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Author : Peter Burley
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09

Economics And Thermodynamics written by Peter Burley 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 2013-03-09 with Business & Economics categories.

Over the past two decades we have witnessed something of a revolution in the natural sciences as thermodynamic thinking evolved from an equilibrium, or 'classical', perspective, to a nonequilibrium, or 'self organisational' one. In this transition, thermodynamics has been applied in new ways and in new fields of inquiry. Chemical and biological (evolutionary) processes have been analysed, increasingly, in non equilibrium thermodynamical terms. Economics has, since the late 19th century, relied heavily upon metaphors and analogies derived from the natural sciences - mechanical analogies cast in terms of traditional Newtonian physics and expressed in terms of Cartesian logic have been especially popular. Thermodynamics, on the other hand, has been less popular, despite its early application in economics by Stanley Jevons, the father of modern notions of utility maximisation in neoclassical economics, and despite its promotion in economic contexts by Paul Samuelson, the author of the definitive treatise upon which post war neoclassical economic theory was based, namely, his Foundations of Economic Analysis. The general neglect of thermodynamic thinking in economics was brought to our attention by Nicholas Georgescu-Roegen in the late 1960s, by which time economic theory, evidenced in, for example, the Arrow Debreu general eqUilibrium system, had become so sophisticated that it could not be penetrated by thermodynamical ideas. To Georgescu Roegen, this presented something of a crisis in economics because neglect of thermodynamics led, in his view, to blindness amongst economists to an economy/environment problem in the global economy.

Thermodynamics And Kinetics Of Drug Binding

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