Screen LibraryQuantum medicinal chemistry
Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this boo...
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| Group Author: | ; |
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| Literature type: | Electronic eBook |
| Language: | English |
| Series: |
Methods and principles in medicinal chemistry ;
v. 17 |
| Subjects: | |
| Online Access: |
http://onlinelibrary.wiley.com/book/10.1002/3527602712 |
| Summary: |
Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing wi |
| Carrier Form: | 1 online resource (xviii, 281 pages) : illustrations (some color). |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: |
3527304568 9783527304561 3527602712 9783527602711 3527605304 9783527605309 |
| Index Number: | RS418 |
| CLC: | R914 |
| Contents: |
Advances in density-functional-based modeling techniques -- recent extensions of the Car-Parrinello approach / Density-functional theory applications in computational medicinal chemistry / Applications of Car-Parrinello molecular dynamics in biochemistry -- binding of ligands in myoglobin / Density-functional theory in drug design -- the chemistry of the anti-tumor drug cisplatin and phototactive psoralen compounds / |