Computational medicinal chemistry for drug discovery:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
New York [u.a.]
Dekker
2004
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XIV, 794 S. Ill. |
| ISBN: | 0824747747 |
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Datensatz im Suchindex
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|---|---|
| adam_text | COMPUTATIONAL MEDICINAL CHEMISTRY FOR DRUG DISCOVERY EDITED BY PATRICK
BULTINCK GHENT UNIVERSITY GHENT BELGIUM HANS DE WINTER WILFRIED
LANGENAEKER JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT A
DIVISION OFJANSSEN PHARMACEUTICS N.V. BEERSE, BELGIUM JAN P. TOLLENAERE
UTRECHT UNIVERSITY UTRECHT, THE NETHERLANDS MARCEL W L . MARCEL DEKKER,
INC. NEW YORK * BASEL DEKKER CONTENTS PREFACE M CONTRIBUTORS XI 1.
MOLECULAR MECHANICS AND COMPARISON OF FORCE FIELDS 1 TOMMY LILJEFORS,
KLAUS GUNDERTOFTE. PER-OLA NORRBY, AND INGRID PETTERSSON 2.
SEMIEMPIRICAL METHODS 29 THOMAS BREDOW 3. WAVE FUNCTION-BASED QUANTUM
CHEMISTRY 57 TRYGVE HELGAKER, POUL JORGENSEN, JEPPE OLSEN, AND WIM
KLOPPER 4. DENSITY-FUNCTIONAL THEORY 89 PAUL W. AYERS AND WEITAO YANG 5.
HYBRID QUANTUM MECHANICAL/MOLECULAR MECHANICAL METHODS 119 JEAN-LOUIS
RIVAIL 6. ACCURACY AND APPLICABILITY OF QUANTUM CHEMICAL METHODS IN
COMPUTATIONAL MEDICINAL CHEMISTRY 133 CHRISTOPHER J. BARDEN AND HENRY F.
SCHAEFER HI 7. 3D STRUCTURE GENERATION AND CONFORMATIONAL SEARCHING 151
JENS SADOWSKI, CHRISTOF H. SCHWAB, AND JOHANN GASTEIGER 8. MOLECULAR
ELECTROSTATIC POTENTIALS 213 PETER POLITZER AND JANE S. MURRAY 9.
NONBONDED INTERACTIONS 235 STEVE SCHEMER VII V IU CONTENTS 10. SOLVENT
SIMULATION 259 PETER L. CUMMINS, ANDREY A. BLIZNYUK, AND JILL E. GREADY
11. REACTIVITY DESCRIPTORS 295 P. K. CHATTARAJ, S. NATH, AND B. MAILI
12. TRANSITION STATES AND TRANSITION STRUCTURES 323 ORLANDO ACEVEDO AND
JEFFREY D. EVANSECK 13. MOLECULAR SIMILARITY, QUANTUM TOPOLOGY, AND
SHAPE 345 PAUL G. MEZEY 14. QUANTUM SIMILARITY AND QUANTITATIVE
STRUCTURE-ACTIVITY RELATIONSHIPS 365 RAMON CARBO-DORCA AND XAVIER
GIRONES 15. PROTEIN STRUCTURES: WHAT GOOD IS BEAUTY IF IT CANNOT BE
SEEN? 387 SANDER B. NABUURS, CHRIS A. E. M. SPRONK, ELMAR KRIEGER, ROB
W. W. HOOFT, AND GERT VRIEND 16. DOCKING AND SCORING 405 INGO MUEGGE AND
ISTVAN ENYEDY 17. PHARMACOPHORE DISCOVERY: A CRITICAL REVIEW 437 JOHN H.
VAN DRIE 18. USE OF 3D PHARMACOPHORE MODELS IN 3D DATABASE SEARCHING 461
REMY D. HOFFMANN, SONJA MEDDEB, AND THIERRY LONGER 19. SUBSTRUCTURE AND
MAXIMAL COMMON SUBSTRUCTURE SEARCHING 483 LINGRAN CHEN 20. MOLECULAR
DESCRIPTORS 515 GEOFF M. DOWNS 21. 2D QSAR MODELS: HANSCH AND
FREE-WILSON ANALYSES 539 HUGO KUBINYI 22. 3D QSAR MODELING IN DRUG
DESIGN 571 TUDOR I. OPREA 23. COMPUTATIONAL ASPECTS OF LIBRARY DESIGN
AND COMBINATORIAL CHEMISTRY 617 VALERIE J. GITLET 24. QUANTUM-CHEMICAL
DESCRIPTORS IN QSAR 641 MALI KARELSON CONTENTS IX 25. DATA MINING
APPLICATIONS IN DRUG DISCOVERY 669 MICHAEL F. M. ENGELS AND THEO H.
REIJMERS 26. VIBRATIONAL CIRCULAR DICHROISM SPECTROSCOPY: A NEW TOOL FOR
THE STEROCHEMICAL CHARACTERIZATION OF CHTRAL MOLECULES 699 PHILIP J.
STEPHENS 27. SIALIDASES: TARGETS FOR RATIONAL DRUG DESIGN 727 JEFFREY C.
DYASON, JENNIFER C. WILSON, AND MARK VON ITZSTEIN GLOSSARY ED E. MORET
AND JAN P. TOLLENAERE 747 INDEX 769
|
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| bvnumber | BV019987965 |
| callnumber-first | R - Medicine |
| callnumber-label | RS418 |
| callnumber-raw | RS418 |
| callnumber-search | RS418 |
| callnumber-sort | RS 3418 |
| callnumber-subject | RS - Pharmacy |
| classification_rvk | VC 6100 VC 6250 |
| ctrlnum | (OCoLC)54966318 (DE-599)BVBBV019987965 |
| dewey-full | 615/.19 |
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| dewey-ones | 615 - Pharmacology and therapeutics |
| dewey-raw | 615/.19 |
| dewey-search | 615/.19 |
| dewey-sort | 3615 219 |
| dewey-tens | 610 - Medicine and health |
| discipline | Chemie / Pharmazie Medizin |
| format | Book |
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| language | English |
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| spelling | Bultinck, Patrick Verfasser aut Computational medicinal chemistry for drug discovery ed. by Patrick Bultinck ... New York [u.a.] Dekker 2004 XIV, 794 S. Ill. txt rdacontent n rdamedia nc rdacarrier Chimie pharmaceutique - Informatique Médicaments - Conception - Informatique Datenverarbeitung Chemistry, Pharmaceutical methods Drug Design Drugs Design Data processing Pharmaceutical chemistry Data processing Pharmazeutische Chemie (DE-588)4132158-3 gnd rswk-swf Computational chemistry (DE-588)4290091-8 gnd rswk-swf Arzneimitteldesign (DE-588)4278218-1 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Pharmazeutische Chemie (DE-588)4132158-3 s Computational chemistry (DE-588)4290091-8 s Arzneimitteldesign (DE-588)4278218-1 s b DE-604 GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=013309926&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Bultinck, Patrick Computational medicinal chemistry for drug discovery Chimie pharmaceutique - Informatique Médicaments - Conception - Informatique Datenverarbeitung Chemistry, Pharmaceutical methods Drug Design Drugs Design Data processing Pharmaceutical chemistry Data processing Pharmazeutische Chemie (DE-588)4132158-3 gnd Computational chemistry (DE-588)4290091-8 gnd Arzneimitteldesign (DE-588)4278218-1 gnd |
| subject_GND | (DE-588)4132158-3 (DE-588)4290091-8 (DE-588)4278218-1 (DE-588)4143413-4 |
| title | Computational medicinal chemistry for drug discovery |
| title_auth | Computational medicinal chemistry for drug discovery |
| title_exact_search | Computational medicinal chemistry for drug discovery |
| title_full | Computational medicinal chemistry for drug discovery ed. by Patrick Bultinck ... |
| title_fullStr | Computational medicinal chemistry for drug discovery ed. by Patrick Bultinck ... |
| title_full_unstemmed | Computational medicinal chemistry for drug discovery ed. by Patrick Bultinck ... |
| title_short | Computational medicinal chemistry for drug discovery |
| title_sort | computational medicinal chemistry for drug discovery |
| topic | Chimie pharmaceutique - Informatique Médicaments - Conception - Informatique Datenverarbeitung Chemistry, Pharmaceutical methods Drug Design Drugs Design Data processing Pharmaceutical chemistry Data processing Pharmazeutische Chemie (DE-588)4132158-3 gnd Computational chemistry (DE-588)4290091-8 gnd Arzneimitteldesign (DE-588)4278218-1 gnd |
| topic_facet | Chimie pharmaceutique - Informatique Médicaments - Conception - Informatique Datenverarbeitung Chemistry, Pharmaceutical methods Drug Design Drugs Design Data processing Pharmaceutical chemistry Data processing Pharmazeutische Chemie Computational chemistry Arzneimitteldesign Aufsatzsammlung |
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