Download Free 3d Qsar Software Definition
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Author by: Hugo Kubinyi Language: en Publisher by: Springer Format Available: PDF, ePub, Mobi Total Read: 73 Total Download: 110 File Size: 40,7 Mb Description: 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 part ‘Receptor Models and Other 3D QSAR Approaches’ describes 3D QSAR methods that are not directly related to CoMFA, i.e., Receptor Surface Models, Pseudo-receptor Modelling and Genetically Evolved Receptor Models. The last two chapters describe alignment-free 3D QSAR methods. The part ‘3D QSAR Applications’ completes Volume 3. I want to start from Descriptor calculation, 2D and 3D QSAR studies, free tools for QSAR and its result interpretation. Looking for researchers who can guide me for the same. Try KNIME (https.
Download Free 3d Qsar Software Definitions
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 by: Hugo Kubinyi Language: en Publisher by: Wiley-VCH Verlag GmbH Format Available: PDF, ePub, Mobi Total Read: 73 Total Download: 265 File Size: 48,5 Mb Description: Finding the new remedy for a certain disease: an inspired goal. QSAR, an invaluable tool in drug design, aids scientists to attain this aim. This book is a long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches. Hugo Kubinyi is a leading expert in QSAR.
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Readers will benefit from the author's 20 years of practical experience, from his careful calculations and recalculations of thousands of QSAR equations. Among the topics covered are: - physiocochemical parameters - quantitative models - statistical methods - Hansch analysis - Free Wilson analysis - 3D-QSAR approaches The book can readily be used as a textbook due to its high didactic value and numerous examples (over 200 equations and 1100 references).
Author by: Tommy Liljefors Language: en Publisher by: CRC Press Format Available: PDF, ePub, Mobi Total Read: 22 Total Download: 520 File Size: 55,5 Mb Description: Building on the success of the previous editions, Textbook of Drug Design and Discovery has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The book follows drug design from the initial lead identification through optimization and structure-activity relationship with reference to the final processes of clinical evaluation and registration. Chapters investigate the design of enzyme inhibitors and drugs for particular cellular targets such as ion channels and receptors, and also explore specific classes of drug such as peptidomimetics, antivirals and anticancer agents. The use of gene technology in pharmaceutical research, computer modeling techniques, and combinatorial approaches are also included. Author by: Han van de Waterbeemd Language: en Publisher by: John Wiley & Sons Format Available: PDF, ePub, Mobi Total Read: 13 Total Download: 648 File Size: 46,5 Mb Description: The use of powerful computers has revolutionized molecular design and drug discovery.