Computer-aided molecular design: theory and applications
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
London
Academic Press
c1996
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a limited knowledge of theoretical chemistry. The purpose of this book is precisely to review, in such a language, both methodological aspects and important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling. Using numerous examples ranging from molecular models to shapes, surfaces, and volumes, Computer-Aided Molecular Design provides coverage of the role molecular graphics play in CAMD. The text also treats the very notion of the structure of molecular systems by presenting both the various experimental techniques giving access to it and the most common model builders based on force fields. Separate chapters are devoted to other important topics in CAMD, such as Monte Carlo and molecular dynamics simulations; most common quantum chemical methods; derivation and visualization of molecular properties; and molecular similarity. Finally, strategies used in protein modeling and drug design, such as receptor mapping and the pharmacophore approach, are presented and illustrated by several examples. The book is addressed to students and researchers who wish to enter this new exciting field of molecular sciences, but also practitioners in CAMD as a comprehensive source of refreshing information in their field. Key Features * Presents a comprehensive introduction to computer-aided molecular design * Describes applications of CAMD through the use of numerous examples * Emphasizes strategies used in protein modeling and drug design * Includes separate chapters devoted to other important topics in CAMD, such as: * Monte Carlo and molecular dynamics simulations * Common quantum chemical methods * Derivation and visualization of molecular properties * Molecular similarity Includes bibliographical references and indexes |
| Beschreibung: | 1 Online-Ressource (xix, 487 p., [8] p. of plates) |
| ISBN: | 9780122212857 0122212851 9780080529745 0080529747 |
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| 500 | |a The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a limited knowledge of theoretical chemistry. The purpose of this book is precisely to review, in such a language, both methodological aspects and important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling. Using numerous examples ranging from molecular models to shapes, surfaces, and volumes, Computer-Aided Molecular Design provides coverage of the role molecular graphics play in CAMD. | ||
| 500 | |a The text also treats the very notion of the structure of molecular systems by presenting both the various experimental techniques giving access to it and the most common model builders based on force fields. Separate chapters are devoted to other important topics in CAMD, such as Monte Carlo and molecular dynamics simulations; most common quantum chemical methods; derivation and visualization of molecular properties; and molecular similarity. Finally, strategies used in protein modeling and drug design, such as receptor mapping and the pharmacophore approach, are presented and illustrated by several examples. The book is addressed to students and researchers who wish to enter this new exciting field of molecular sciences, but also practitioners in CAMD as a comprehensive source of refreshing information in their field. | ||
| 500 | |a Key Features * Presents a comprehensive introduction to computer-aided molecular design * Describes applications of CAMD through the use of numerous examples * Emphasizes strategies used in protein modeling and drug design * Includes separate chapters devoted to other important topics in CAMD, such as: * Monte Carlo and molecular dynamics simulations * Common quantum chemical methods * Derivation and visualization of molecular properties * Molecular similarity | ||
| 500 | |a Includes bibliographical references and indexes | ||
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Datensatz im Suchindex
| _version_ | 1804152888367251456 |
|---|---|
| any_adam_object | |
| author | Doucet, Jean-Pierre |
| author_facet | Doucet, Jean-Pierre |
| author_role | aut |
| author_sort | Doucet, Jean-Pierre |
| author_variant | j p d jpd |
| building | Verbundindex |
| bvnumber | BV042305365 |
| collection | ZDB-33-ESD ZDB-33-EBS |
| ctrlnum | (OCoLC)162129083 (DE-599)BVBBV042305365 |
| dewey-full | 615.1900285 |
| dewey-hundreds | 600 - Technology (Applied sciences) |
| dewey-ones | 615 - Pharmacology and therapeutics |
| dewey-raw | 615.1900285 |
| dewey-search | 615.1900285 |
| dewey-sort | 3615.1900285 |
| dewey-tens | 610 - Medicine and health |
| discipline | Medizin |
| format | Electronic eBook |
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| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:17:52Z |
| institution | BVB |
| isbn | 9780122212857 0122212851 9780080529745 0080529747 |
| language | English |
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| spelling | Doucet, Jean-Pierre Verfasser aut Computer-aided molecular design theory and applications Jean-Pierre Doucet, Jacques Weber London Academic Press c1996 1 Online-Ressource (xix, 487 p., [8] p. of plates) txt rdacontent c rdamedia cr rdacarrier The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a limited knowledge of theoretical chemistry. The purpose of this book is precisely to review, in such a language, both methodological aspects and important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling. Using numerous examples ranging from molecular models to shapes, surfaces, and volumes, Computer-Aided Molecular Design provides coverage of the role molecular graphics play in CAMD. The text also treats the very notion of the structure of molecular systems by presenting both the various experimental techniques giving access to it and the most common model builders based on force fields. Separate chapters are devoted to other important topics in CAMD, such as Monte Carlo and molecular dynamics simulations; most common quantum chemical methods; derivation and visualization of molecular properties; and molecular similarity. Finally, strategies used in protein modeling and drug design, such as receptor mapping and the pharmacophore approach, are presented and illustrated by several examples. The book is addressed to students and researchers who wish to enter this new exciting field of molecular sciences, but also practitioners in CAMD as a comprehensive source of refreshing information in their field. Key Features * Presents a comprehensive introduction to computer-aided molecular design * Describes applications of CAMD through the use of numerous examples * Emphasizes strategies used in protein modeling and drug design * Includes separate chapters devoted to other important topics in CAMD, such as: * Monte Carlo and molecular dynamics simulations * Common quantum chemical methods * Derivation and visualization of molecular properties * Molecular similarity Includes bibliographical references and indexes Molecules / Structure MEDICAL / Drug Guides bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh MEDICAL / Nursing / Pharmacology bisacsh Molecuulstructuur gtt Computermethoden gtt Computer-aided design fast Molecular structure / Data processing fast Molecules / Models / Data processing fast Datenverarbeitung Medizin Molecular structure Data processing Molecules Models Data processing Computer-aided design Molekulardesign (DE-588)4265444-0 gnd rswk-swf Molekulardesign (DE-588)4265444-0 s 1\p DE-604 Weber, Jacques Sonstige oth http://www.sciencedirect.com/science/book/9780122212857 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Doucet, Jean-Pierre Computer-aided molecular design theory and applications Molecules / Structure MEDICAL / Drug Guides bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh MEDICAL / Nursing / Pharmacology bisacsh Molecuulstructuur gtt Computermethoden gtt Computer-aided design fast Molecular structure / Data processing fast Molecules / Models / Data processing fast Datenverarbeitung Medizin Molecular structure Data processing Molecules Models Data processing Computer-aided design Molekulardesign (DE-588)4265444-0 gnd |
| subject_GND | (DE-588)4265444-0 |
| title | Computer-aided molecular design theory and applications |
| title_auth | Computer-aided molecular design theory and applications |
| title_exact_search | Computer-aided molecular design theory and applications |
| title_full | Computer-aided molecular design theory and applications Jean-Pierre Doucet, Jacques Weber |
| title_fullStr | Computer-aided molecular design theory and applications Jean-Pierre Doucet, Jacques Weber |
| title_full_unstemmed | Computer-aided molecular design theory and applications Jean-Pierre Doucet, Jacques Weber |
| title_short | Computer-aided molecular design |
| title_sort | computer aided molecular design theory and applications |
| title_sub | theory and applications |
| topic | Molecules / Structure MEDICAL / Drug Guides bisacsh MEDICAL / Pharmacology bisacsh MEDICAL / Pharmacy bisacsh MEDICAL / Nursing / Pharmacology bisacsh Molecuulstructuur gtt Computermethoden gtt Computer-aided design fast Molecular structure / Data processing fast Molecules / Models / Data processing fast Datenverarbeitung Medizin Molecular structure Data processing Molecules Models Data processing Computer-aided design Molekulardesign (DE-588)4265444-0 gnd |
| topic_facet | Molecules / Structure MEDICAL / Drug Guides MEDICAL / Pharmacology MEDICAL / Pharmacy MEDICAL / Nursing / Pharmacology Molecuulstructuur Computermethoden Computer-aided design Molecular structure / Data processing Molecules / Models / Data processing Datenverarbeitung Medizin Molecular structure Data processing Molecules Models Data processing Molekulardesign |
| url | http://www.sciencedirect.com/science/book/9780122212857 |
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