Author : Marco Antonio Chaer Nascimento
Publisher : World Scientific
Page : 174 pages
File Size : 17,51 MB
Release : 1994-03-28
Category :
ISBN : 9814552119
This volume attempts to show molecular modeling as a new multidisciplinary area of research that transcends the boundaries traditionally separating biology, chemistry and physics. To this purpose, leading scientists present applications of molecular modeling to a variety of important problems such as: drug design, protein modeling, catalyst modeling, properties of glass, mechanical properties of materials and materials design. The emphasis here is on the atomistic approach.
Author : National Research Council
Publisher : National Academies Press
Page : 238 pages
File Size : 40,40 MB
Release : 2003-03-19
Category : Science
ISBN : 0309168392
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Author : Ehud Keinan
Publisher : John Wiley & Sons
Page : 308 pages
File Size : 15,78 MB
Release : 2008-07-11
Category : Science
ISBN : 3527612955
Here, numerous winners of the Wolf prize from all chemical disciplines provide an overview of the new ideas and approaches that will shape this dynamic science over the forthcoming decades and so will have a decisive influence on our living conditions. This glimpse of the future is naturally based on the findings granted us by the rapid increase in chemical research during the 20th century. It may be said that a silent "revolution" took place, the positive results of which are still not fully predicted. For example, chemists in research laboratories nowadays are able to develop drugs in increasingly short times to treat diseases once thought incurable. They can design new materials that withstand extreme conditions, and predict the properties of compounds that no one has even seen yet. In this exceptional book those breakthroughs of modern chemistry are illustrated and explained by leading scientists. It stems from the high-quality papers given at the prestigious ceremony to accompany the presentation of the 20th Wolf Prize. It is an extraordinary source for every chemist in industry and academia to get an overview of the highlights of modern chemistry.
Author : Tamar Schlick
Publisher :
Page : 0 pages
File Size : 21,37 MB
Release : 2012
Category : Biomolecules
ISBN :
This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts.
Author : Ehud Keinan
Publisher : John Wiley & Sons
Page : 312 pages
File Size : 23,94 MB
Release : 2001-02-08
Category : Science
ISBN : 9783527302352
Here, numerous winners of the Wolf prize from all chemical disciplines provide an overview of the new ideas and approaches that will shape this dynamic science over the forthcoming decades and so will have a decisive influence on our living conditions. This glimpse of the future is naturally based on the findings granted us by the rapid increase in chemical research during the 20th century. It may be said that a silent "revolution" took place, the positive results of which are still not fully predicted. For example, chemists in research laboratories nowadays are able to develop drugs in increasingly short times to treat diseases once thought incurable. They can design new materials that withstand extreme conditions, and predict the properties of compounds that no one has even seen yet. In this exceptional book those breakthroughs of modern chemistry are illustrated and explained by leading scientists. It stems from the high-quality papers given at the prestigious ceremony to accompany the presentation of the 20th Wolf Prize. It is an extraordinary source for every chemist in industry and academia to get an overview of the highlights of modern chemistry.
Author : Peter Bladon
Publisher : Royal Society of Chemistry
Page : 311 pages
File Size : 15,97 MB
Release : 2012
Category : Science
ISBN : 184973352X
This book is a practical, easy-to-use guide for readers with limited experience of molecular modelling. Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the methods, choosing instead to provide the reader with the choice of methods themselves.
Author : Hugo Kubinyi
Publisher : Springer Science & Business Media
Page : 796 pages
File Size : 39,59 MB
Release : 1993-12-31
Category : Medical
ISBN : 9789072199140
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules. The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the present state of the art should enable scientists to further develop and improve these powerful new tools. The greater part of the book is dedicated to the theoretical background of 3D QSAR and to a discussion of CoMFA applications. In addition, various other 3D QSAR approaches and some CoMFA-related methods are described in detail. Thus, the book should be valuable for medicinal, agricultural and theoretical chemists, biochemists and biologists, as well as for other scientists interested in drug design. Its content, starting at a very elementary level and proceeding to the latest methodological results, the strengths and limitations of 3D QSAR approaches, makes the book also appropriate as a text for teaching and for graduate student courses.
Author : Vintner
Publisher : CRC Press
Page : 468 pages
File Size : 40,82 MB
Release : 1994-05-03
Category : Medical
ISBN : 9780849377723
This book provides a myriad of fresh ideas and energetic approaches to the newer aspects of everyday drug modelling. With contributions from some of the best young talents of today, Molecular Modelling and Drug Design encourages a break from old traditions and probes the unexplored avenues of the modelling tool. The contributors' views act as a gauge to future trends in computer-aided drug design-an area that continues to expand and play an ever more significant role in drug discovery.
Author : Dominik Marx
Publisher : Cambridge University Press
Page : 503 pages
File Size : 33,98 MB
Release : 2009-04-30
Category : Science
ISBN : 1139477196
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Author : James M. Ritter
Publisher : Elsevier Health Sciences
Page : 1001 pages
File Size : 19,62 MB
Release : 2023-05-13
Category : Medical
ISBN : 0323873987
Rang and Dale's Pharmacology is internationally acknowledged as the core textbook for students of pharmacology, and has provided accessible, up-to-date information on drugs and their mechanism of action for more than 30 years. Now in its tenth edition, it has been updated to include important new drugs such as gene therapies, personalised medicines and the new wave of RNA drugs. However it has not lost any of the elements that have contributed to its popularity, such as color coding and illustrations, making it reader-friendly while comprehensively covering the depth of detail required. This essential book is recommended as the first-choice undergraduate text for science and medical students and junior doctors and will also be useful for students in other professional disciplines such as pharmacy, veterinary medicine and nursing. - Comprehensive information on drug mechanisms, basic physiology and biochemistry, and underlying pathophysiology of disease – suitable for students from many disciplines - Clear figures to aid understanding, including data figures as well as mechanistic diagrams, - Key points box summaries, clinical boxes and colour-coded chapters help to master difficult concepts - Emphasis on therapeutic drugs to help apply theory to practice - Over 150 questions and 12 clinical cases to test your knowledge - New chapters on drugs and the eye and the pharmacological management of headache - Revised information on biopharmaceuticals (including RNA drugs), antivirals (including Covid-19 therapies) as well as general principles of antimicrobial therapy. - A completely revised and updated chapter on lifestyle drugs - Recent advances in oxygen sensing and response to reduced oxygen tension - Expanded chapters on dementia and analgesic drugs
