Computational medicinal chemistry for drug discovery / (Record no. 6938)

000 -LEADER
fixed length control field 03199cam a22004094a 4500
001 - CONTROL NUMBER
EWU control number 6938
003 - CONTROL NUMBER IDENTIFIER
control field BD-DhEWU
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20190123123202.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 040922s2004 nyuaf g b 001 0 eng d
010 ## - LIBRARY OF CONGRESS CONTROL NUMBER
LC control number 2004302526
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 0824747747 (alk. paper)
035 ## - SYSTEM CONTROL NUMBER
OCLC control number (OCoLC)54966318
040 ## - CATALOGING SOURCE
Original cataloging agency NLM
Transcribing agency NLM
Modifying agency OCLCQ
-- IUL
-- DLC
-- BD-DhEWU
Language of cataloging eng
041 ## - LANGUAGE CODE
Language code of text/sound track or separate title eng
050 00 - LIBRARY OF CONGRESS CALL NUMBER
Classification number RS418
Item number .C667 2004
060 00 - NATIONAL LIBRARY OF MEDICINE CALL NUMBER
Classification number 2004 C-002
Classification number QV 744
Item number C7374 2004
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 615.19
DDC edition 22
Author mark and Year COM 2004
245 00 - TITLE STATEMENT
Title Computational medicinal chemistry for drug discovery /
Statement of responsibility, etc edited by Patrick Bultinck ... [et al.].
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc New York :
Name of publisher, distributor, etc Marcel Dekker,
Date of publication, distribution, etc c2004.
300 ## - PHYSICAL DESCRIPTION
Extent xiv, 794 p., [20] p. of plates :
Other physical details ill. (some col.) ;
Dimensions 27 cm.
500 ## - GENERAL NOTE
General note <br/><br/>Surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands. This book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation and hybrid methods.
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc Includes bibliographical references and index.
505 ## - FORMATTED CONTENTS NOTE
Title Table of contents
Contents note 1. Molecular mechanics and comparison of force fields --<br/>2. Semiempirical methods --<br/>3. Wave function-based quantum chemistry --<br/>4. Density-functional theory --<br/>5. Hybrid quantum mechanical/molecular mechanical methods --<br/>6. Accuracy and applicability of quantum chemical methods in computational medicinal chemistry --<br/>7. 3D structure generation and conformational searching --<br/>8. Molecular electrostatic potentials --<br/>9. Nonbonded interactions --<br/>10. Solvent simulation --<br/>11. Reactivity descriptors --<br/>12. Transition states and transition structures --<br/>13. Molecular similarity, quantum topology, and shape --<br/>14. Quantum similarity and quantitative structure-activity relationships --<br/>15. Protein structures: What good is beauty if it cannot be seen? --<br/>16. Docking and scoring --<br/>17. Pharmacophore discovery: A critical review --<br/>18. Use of 3D pharmacophore models in 3D database searching --<br/>19. Substructure and maximal common substructure searching --<br/>20. Molecular descriptors --<br/>21. 2D QSAR models: Hansch and free-Wilson analyses --<br/>22. 3D QSAR modeling in drug design --<br/>23. Computational aspects of library design and combinatorial chemistry --<br/>24. Quantum-chemical descriptors in QSAR --<br/>25. Data mining applications in drug discovery --<br/>26. Vibrational circular dichroism spectroscopy: A new tool for the sterochemical characterization of chiral molecules --<br/>27. Sialidases: Targets for rational drug design.
526 ## - STUDY PROGRAM INFORMATION NOTE
Program name Pharmacy
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name Pharmaceutical chemistry
General subdivision Data processing.
9 (RLIN) 573
Topical term or geographic name Drugs
General subdivision Design
-- Data processing.
9 (RLIN) 574
Topical term or geographic name Chemistry, Pharmaceutical
General subdivision methods.
9 (RLIN) 575
Topical term or geographic name Drug Design.
9 (RLIN) 8906
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Bultinck, Patrick.
9 (RLIN) 572
856 42 - ELECTRONIC LOCATION AND ACCESS
Materials Specified WorldCat detail
Uniform Resource Identifier https://www.worldcat.org/title/computational-medicinal-chemistry-for-drug-discovery/oclc/54966318&referer=brief_results
Materials Specified E-book Fulltext
Uniform Resource Identifier http://lib.ewubd.edu/ebook/6938
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Koha item type Text
Koha issues (borrowed), all copies 4
Holdings
Lost status Source of classification or shelving scheme Not for loan Collection code Permanent Location Current Location Shelving location Date of accession Source of acquisition Cost, normal purchase price Full call number Barcode Date last seen Copy number Price effective from Koha item type Total Checkouts Date checked out Total Renewals
    Not For Loan Non-fiction EWU Library EWU Library Reserve Section 2012-01-20 Friends Book Corner 4792.00 615.19 COM 2004 24326 2012-01-24 C-1 2012-01-24 Text      
      Non-fiction EWU Library EWU Library Circulation Section 2012-01-20 Friends Book Corner 4792.00 615.19 COM 2004 24327 2012-01-24 C-2 2012-01-24 Text      
      Non-fiction EWU Library EWU Library Circulation Section 2012-01-20 Friends Book Corner 4792.00 615.19 COM 2004 24328 2012-01-24 C-3 2012-01-24 Text      
      Non-fiction EWU Library EWU Library Circulation Section 2012-01-20 Friends Book Corner 4792.00 615.19 COM 2004 24329 2016-04-11 C-4 2012-01-24 Text 3 2015-07-07  
      Non-fiction EWU Library EWU Library Circulation Section 2012-01-24 Friends Book Corner 4792.00 615.19 COM 2004 24330 2015-07-07 C-5 2012-01-24 Text 3 2015-07-07 1
      Non-fiction EWU Library EWU Library E-book 2018-01-13     615.19 COM 2004   2018-01-13   2018-01-13 E-Book      

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