MARC details
| 000 -LEADER |
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| fixed length control field |
04039cam a22004454a 4500 |
| 001 - CONTROL NUMBER |
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| control field |
16015292 |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20190128112433.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
091208s2010 enka b 001 0 eng |
| 010 ## - LIBRARY OF CONGRESS CONTROL NUMBER |
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| LC control number |
2009051613 |
| 015 ## - NATIONAL BIBLIOGRAPHY NUMBER |
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| National bibliography number |
GBB000606 |
| Source |
bnb |
| 016 7# - NATIONAL BIBLIOGRAPHIC AGENCY CONTROL NUMBER |
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| Record control number |
101520832 |
| Source |
DNLM |
| 016 7# - NATIONAL BIBLIOGRAPHIC AGENCY CONTROL NUMBER |
|---|
| Record control number |
015453221 |
| Source |
Uk |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9780521887236 (hardback) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
0521887232 (hardback) |
| 035 ## - SYSTEM CONTROL NUMBER |
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| System control number |
(OCoLC)ocn422765229 |
| 040 ## - CATALOGING SOURCE |
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| Original cataloging agency |
DNLM/DLC |
| Transcribing agency |
DLC |
| Modifying agency |
YDX |
| -- |
NLM |
| -- |
BTCTA |
| -- |
UKM |
| -- |
YDXCP |
| -- |
CDX |
| -- |
DLC |
| 042 ## - AUTHENTICATION CODE |
|---|
| Authentication code |
pcc |
| 050 00 - LIBRARY OF CONGRESS CALL NUMBER |
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| Classification number |
RS420 |
| Item number |
.D793 2010 |
| 060 00 - NATIONAL LIBRARY OF MEDICINE CALL NUMBER |
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| Classification number |
2010 H-619 |
| 060 10 - NATIONAL LIBRARY OF MEDICINE CALL NUMBER |
|---|
| Classification number |
QV 744 |
| Item number |
D79327 2010 |
| 082 00 - DEWEY DECIMAL CLASSIFICATION NUMBER |
|---|
| Classification number |
615/.19 |
| Edition number |
22 |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Merz, Kenneth M., |
| Dates associated with a name |
1959- |
| 245 00 - TITLE STATEMENT |
|---|
| Title |
Drug design : |
| Remainder of title |
structure- and ligand-based approaches / |
| Statement of responsibility, etc |
edited by Kenneth M. Merz, Dagmar Ringe, Charles H. Reynolds. |
| 250 ## - EDITION STATEMENT |
|---|
| Edition statement |
1st Ed. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Place of publication, distribution, etc |
Cambridge [U.K.] ; |
| -- |
New York : |
| Name of publisher, distributor, etc |
Cambridge University Press, |
| Date of publication, distribution, etc |
2010. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
x, 274 p. : |
| Other physical details |
ill. (some col.) ; |
| Dimensions |
28 cm. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc |
Includes bibliographical references and index. |
| 505 8# - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
Machine generated contents note: 1. Computational chemistry in drug discovery William L. Jorgensen; Part I. Structural Biology: 2. X-Ray crystallography Gregory Petsko and Dagmar Ringe; 3. Fragment-based approaches to structural biology Stephen K. Burley, Gavin Hirst, Paul Sprengeler, and Siegfried Reich; 4. Application of NMR in drug discovery Christopher A. Lepre, Peter J. Connolly, and Jonathan M. Moore; Part II. Computational Chemistry Methodology: 5. Free energy calculations in structure-based drug design Michael R. Shirts, David L. Mobley, and Scott P. Brown; 6. Molecular dynamics in structure-based drug design Fangyu Ding and Carlos Simmerling; 7. Docking: a domesday report Martha S. Head; 8. Quantum mechanics in drug discovery Kenneth M. Merz; 9. Pharmacophore methods Steven L. Dixon; 10. QSAR in drug discovery Alexander Tropsha; 11. ADME-Tox William J. Egan; Part III. Applications to Drug Discovery: 12. Principles of computer-aided drug design Charles H. Reynolds; 13. Case study: p38 Arthur M. Doweyko; 14. HIV protease: de;j...-vu all over again M. Katharine Holloway, Nigel J. Liverton, John A. McCauley, Michael T. Rudd, John W. Butcher, Steve S. Carroll, Jillian DiMuzio, Christine Fandozzi, Kevin F. Gilbert, Shi-Shan Mao, Charles J. MacIntyre, Kevin T. Nguyen, Joseph J. Romano, Mark Stahlhut, Bang-Lin Wan, David B. Olsen, and Joseph P. Vacca; 15. Purine nucleoside phosphorylases as targets for transition-state analogue design Andrew S. Murkin and Vern L. Schramm; 16. GPCR 3D modeling Frank U. Axe; 17. Structure based design of potent glycogen phosphorylase inhibitors Qiaolin Deng. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
"Structure-based (SBDD) and ligand-based (LBDD) drug design are extremely important and active areas of research in both the academic and commercial realms. This book provides a complete snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include X-ray crystallography, NMR, fragment-based drug design, free energy methods, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore methods, computational ADME-Tox, and drug discovery case studies. A variety of authors from academic and commercial institutions all over the world have contributed to this book, which is illustrated with more than 200 images. This is the only book to cover the subject of structure and ligand-based drug design, and it provides the most up-to-date information on a wide range of topics for the practicing computational chemist, medicinal chemist, or structural biologist"--Provided by publisher. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Drugs |
| General subdivision |
Design. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Drugs |
| General subdivision |
Structure-activity relationships. |
| 650 12 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Drug Design. |
| 650 22 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Ligands. |
| 650 22 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Structure-Activity Relationship. |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Ringe, Dagmar. |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Reynolds, Charles H., |
| Dates associated with a name |
1957- |
| 906 ## - LOCAL DATA ELEMENT F, LDF (RLIN) |
|---|
| a |
7 |
| b |
cbc |
| c |
orignew |
| d |
1 |
| e |
ecip |
| f |
20 |
| g |
y-gencatlg |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Dewey Decimal Classification |
| Item type |
Books |
