Molecular Similarity In Drug Design
DOWNLOAD
FREE 30 Days
Download Molecular Similarity In Drug Design PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Molecular Similarity In Drug Design 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
Molecular Similarity In Drug Design
DOWNLOAD
FREE 30 Days
Author : P.M. Dean
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecular Similarity In Drug Design written by P.M. Dean 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 2012-12-06 with Science categories.
Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.
3d Qsar In Drug Design
DOWNLOAD
FREE 30 Days
Author : Hugo Kubinyi
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
3d Qsar In Drug Design written by Hugo Kubinyi 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 2006-04-11 with Science categories.
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series. 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.
Molecular Quantum Similarity In Qsar And Drug Design
DOWNLOAD
FREE 30 Days
Author : R. Carbo-Dorca
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecular Quantum Similarity In Qsar And Drug Design written by R. Carbo-Dorca 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 2012-12-06 with Science categories.
The authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to compute similarities molecules and provide graphical tools for visualization of sets of molecules as n-dimensional point charts.
3d Qsar In Drug Design
DOWNLOAD
FREE 30 Days
Author : Hugo Kubinyi
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
3d Qsar In Drug Design written by Hugo Kubinyi 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 2006-04-11 with Science categories.
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.
3d Qsar In Drug Design
DOWNLOAD
FREE 30 Days
Author : Hugo Kubinyi
language : en
Publisher:
Release Date : 1998
3d Qsar In Drug Design written by Hugo Kubinyi and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with categories.
Molecular Similarity Concepts And Applications For Pharmaceutical Research
DOWNLOAD
FREE 30 Days
Author : Dr Philip Hajduk
language : en
Publisher: Wiley
Release Date : 2013-07-22
Molecular Similarity Concepts And Applications For Pharmaceutical Research written by Dr Philip Hajduk and has been published by Wiley this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-22 with Medical categories.
Molecular similarity is the foundational principle for drug design, wherein new molecules are designed that are “similar enough” to known compounds to have a good chance at being active but “different enough” to have a chance at being superior. Quantifying the level of similarity or dissimilarity between two molecules has been a long-standing area of investigation, and decades of research have yielded an impressive array of tools and techniques for measuring and calculating these relationships. Molecular Similarity: Concepts and Applications for Pharmaceutical Research provides a comprehensive review of “best practices” within the field of molecular similarity as it applies to drug design, covering fundamentals and concepts, case studies, and strategies for integration. Topics covered include: • theory and concepts in molecular similarity • 1-D, 2-D and 3-D methods for chemical similarity • biochemical similarity • target similarity – pockets and docking • integrating multiple approaches to chemical similarity • case studies in lead discovery, optimization and target discovery; kinome/GPCR profiling; polypharmacology; and off-target discovery Molecular Similarity: Concepts and Applications for Pharmaceutical Research will appeal to both the newcomer and the expert, providing a foundational text upon which to gain familiarity with the field, develop localized strategies, and conduct further research.
3d Qsar In Drug Design 1 Ligand Protein Interactions And Molecular Similarity
DOWNLOAD
FREE 30 Days
Author : Hugo Kubinyi
language : en
Publisher:
Release Date : 1998
3d Qsar In Drug Design 1 Ligand Protein Interactions And Molecular Similarity written by Hugo Kubinyi and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Drugs categories.
Advances In Molecular Similarity
DOWNLOAD
FREE 30 Days
Author : R. Carbo-Dorca
language : en
Publisher: Elsevier
Release Date : 1996-12-17
Advances In Molecular Similarity written by R. Carbo-Dorca and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-12-17 with Science categories.
The aim of this text is to provide reviews and monographs on topics involving molecular similarity, ranging from the fundamental physical properties underlying molecular behaviour to applications in industrially important fields such as pharmaceutical drug design and molecular engineering. The editors hope that this series will encourage new ideas and approaches, help to systematize the rapidly accumulating new chemical information, and make chemistry better understood and better applied.
3d Qsar In Drug Design
DOWNLOAD
FREE 30 Days
Author : Hugo Kubinyi
language : en
Publisher: Springer
Release Date : 1998-04-30
3d Qsar In Drug Design written by Hugo Kubinyi and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-04-30 with Science categories.
Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches, Receptor Models and Other 3D QSAR Approaches, and 3D QSAR Applications. More than seventy distinguished scientists have contributed nearly forty reviews of their work and related research to these two volumes which are of outstanding quality and timeliness. These works present an up-to-date coverage of the latest developments in all fields of 3D QSAR.
Structure Based Drug Design
DOWNLOAD
FREE 30 Days
Author : P.W. Codding
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Structure Based Drug Design written by P.W. Codding 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 2013-04-17 with Science categories.
Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating the necessary collaboration and interdisciplinary approach to this complex area. The focus is on X-ray crystallographic and computational approaches. The general aspects of these approaches are introduced in the first six articles. The remaining articles provide examples of the application of X-ray crystallography, molecular modelling, molecular dynamics, QSAR, database analysis, and homology modelling. The papers cover a wealth of interesting problems in the design of new and enhanced pharmaceuticals.