Molecular Design And Modeling PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Molecular Design And Modeling PDF full book. Access full book title Molecular Design And Modeling.
Author | : N. Claude Cohen |
Publisher | : Gulf Professional Publishing |
Total Pages | : 386 |
Release | : 1996-04-26 |
Genre | : Computers |
ISBN | : 9780121782450 |
Download Guidebook on Molecular Modeling in Drug Design Book in PDF, ePub and Kindle
The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).
Author | : Hans-Dieter Höltje |
Publisher | : John Wiley & Sons |
Total Pages | : 206 |
Release | : 2008-07-11 |
Genre | : Science |
ISBN | : 3527614761 |
Download Molecular Modeling Book in PDF, ePub and Kindle
Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!
Author | : John Joseph Langone |
Publisher | : Gulf Professional Publishing |
Total Pages | : 864 |
Release | : 1991 |
Genre | : Antigen-antibody reactions |
ISBN | : 9780121821036 |
Download Molecular Design and Modeling Book in PDF, ePub and Kindle
Computer-based design and modeling, computational approaches, and instrumental methods for elucidating molecular mechanisms of protein folding and ligand-acceptor interactions are included in Volumes 202 and 203, as are genetic and chemical methods for the production of functional molecules including antibodies and antigens, enzymes, receptors, nucleic acids and polysaccharides, and drugs.
Author | : Rebecca Wade |
Publisher | : MDPI |
Total Pages | : 220 |
Release | : 2019-03-26 |
Genre | : Science |
ISBN | : 3038976148 |
Download Molecular Modeling in Drug Design Book in PDF, ePub and Kindle
Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges. The topics covered include virtual screening and pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling to investigate contributions of molecular flexibility to drug–receptor interactions, the modeling of drug–receptor solvation, hydrogen bonding and polarization, and drug design against protein–protein interfaces and membrane protein receptors.
Author | : K Anand Solomon |
Publisher | : MJP Publisher |
Total Pages | : 242 |
Release | : 2019-06-05 |
Genre | : Science |
ISBN | : |
Download Molecular Modelling and Drug Design Book in PDF, ePub and Kindle
Molecular modelling is the scientific art of simulating chemicalor biological systems, so that computational methods can beapplied to understand the process concerned. Models usingcomputers are generated using mathematical equations and areevolved based on experimental information that is taken intoconsideration during model building. This book is anintroduction to the field of molecular modelling and drug designin which biological molecules effective in treating diseases arediscovered using in silico methods.
Author | : K. I. Ramachandran |
Publisher | : Springer Science & Business Media |
Total Pages | : 405 |
Release | : 2008-05-20 |
Genre | : Science |
ISBN | : 3540773045 |
Download Computational Chemistry and Molecular Modeling Book in PDF, ePub and Kindle
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author | : Tamar Schlick |
Publisher | : Springer Science & Business Media |
Total Pages | : 669 |
Release | : 2013-04-18 |
Genre | : Science |
ISBN | : 0387224645 |
Download Molecular Modeling and Simulation Book in PDF, ePub and Kindle
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author | : Tamar Schlick |
Publisher | : Springer Science & Business Media |
Total Pages | : 757 |
Release | : 2010-08-03 |
Genre | : Mathematics |
ISBN | : 1441963510 |
Download Molecular Modeling and Simulation: An Interdisciplinary Guide Book in PDF, ePub and Kindle
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author | : N. Claude Cohen |
Publisher | : Elsevier |
Total Pages | : 376 |
Release | : 1996-05-16 |
Genre | : Science |
ISBN | : 0080532330 |
Download Guidebook on Molecular Modeling in Drug Design Book in PDF, ePub and Kindle
Specially designed computer software is revolutionizing procedures for structured or rational drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis ofmolecular structure and the correlation of these structures with pharmacological reactions. Intended as an introductory guide for advanced students and professionals with an interest in computer-assisted modeling for drug design and discovery, this bookwill also be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field. Molecular modeling is assuming an important role in the understanding of three-dimensional aspects in the specificity of drug-receptor interactions at the molecular level. This research area has become a well-established discipline in pharmaceutical research. It has created unprecedented opportunities in assisting medicinal chemists in the design of new therapeutic agents. Advances made in computer hardware and in theoretical medicinal chemistry have brought high-performance computing and graphics tools within reach of most academic and industrial laboratories, facilitating the development of useful approaches to rational drug design. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis of the molecular structure of biological molecules and drugs and the correlation of these structures with pharmacological actions. Intended as a guide for advanced students and professionals with an interest in computer-assisted modeling for drug design and discovery, this book will also be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field.
Author | : Gisbert Schneider |
Publisher | : John Wiley & Sons |
Total Pages | : 284 |
Release | : 2008-02-26 |
Genre | : Science |
ISBN | : 9783527314324 |
Download Molecular Design Book in PDF, ePub and Kindle
Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).