Protein-ligand interactions / (Record no. 19350)

MARC details
000 -LEADER
fixed length control field 06789cam a2200865Ia 4500
001 - CONTROL NUMBER
control field ocn787843753
003 - CONTROL NUMBER IDENTIFIER
control field OCoLC
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20221117120748.0
006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS--GENERAL INFORMATION
fixed length control field m o d
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr cnu---unuuu
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 120423s2012 gw a ob 001 0 eng d
040 ## - CATALOGING SOURCE
Original cataloging agency EBLCP
Language of cataloging eng
Description conventions pn
Transcribing agency EBLCP
Modifying agency OCLCQ
-- MHW
-- CUS
-- N$T
-- TXA
-- E7B
-- YDXCP
-- OCLCQ
-- COO
-- OCLCF
-- OCLCQ
-- CDX
-- DEBSZ
-- DG1
-- IDEBK
-- OCLCQ
-- AZK
-- DG1
019 ## -
-- 794707301
-- 796087106
-- 817084136
-- 961502301
-- 962592128
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 9783527645978
Qualifying information (electronic bk.)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 3527645977
Qualifying information (electronic bk.)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 3527329668
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 9783527329663
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 9781280662898
Qualifying information (MyiLibrary)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 1280662891
Qualifying information (MyiLibrary)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Cancelled/invalid ISBN 9783527645947
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Cancelled/invalid ISBN 3527645942
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Cancelled/invalid ISBN 9783527329663
029 1# - (OCLC)
OCLC library identifier AU@
System control number 000049569070
029 1# - (OCLC)
OCLC library identifier AU@
System control number 000049632204
029 1# - (OCLC)
OCLC library identifier DEBSZ
System control number 431131740
029 1# - (OCLC)
OCLC library identifier DKDLA
System control number 820120-katalog:000599549
029 1# - (OCLC)
OCLC library identifier NLGGC
System control number 394011295
029 1# - (OCLC)
OCLC library identifier NZ1
System control number 14976387
029 1# - (OCLC)
OCLC library identifier NZ1
System control number 15922085
035 ## - SYSTEM CONTROL NUMBER
System control number (OCoLC)787843753
Canceled/invalid control number (OCoLC)794707301
-- (OCoLC)796087106
-- (OCoLC)817084136
-- (OCoLC)961502301
-- (OCoLC)962592128
037 ## - SOURCE OF ACQUISITION
Stock number 10.1002/9783527645947
Source of stock number/acquisition Wiley InterScience
Note http://www3.interscience.wiley.com
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QP551
Item number .P69598 2012
072 #7 - SUBJECT CATEGORY CODE
Subject category code MED
Subject category code subdivision 023000
Source bisacsh
072 #7 - SUBJECT CATEGORY CODE
Subject category code MED
Subject category code subdivision 058170
Source bisacsh
072 #7 - SUBJECT CATEGORY CODE
Subject category code MED
Subject category code subdivision 071000
Source bisacsh
072 #7 - SUBJECT CATEGORY CODE
Subject category code MED
Subject category code subdivision 072000
Source bisacsh
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 615.19
Edition number 23
049 ## - LOCAL HOLDINGS (OCLC)
Holding library MAIN
245 00 - TITLE STATEMENT
Title Protein-ligand interactions /
Statement of responsibility, etc edited by Holger Gohlke.
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc Weinheim :
Name of publisher, distributor, etc Wiley-VCH,
Date of publication, distribution, etc ©2012.
300 ## - PHYSICAL DESCRIPTION
Extent 1 online resource (xx, 339 pages) :
Other physical details illustrations.
336 ## -
-- text
-- txt
-- rdacontent
337 ## -
-- computer
-- c
-- rdamedia
338 ## -
-- online resource
-- cr
-- rdacarrier
347 ## -
-- data file
-- rda
380 ## -
-- Bibliography
490 1# - SERIES STATEMENT
Series statement Methods and principles in medicinal chemistry ;
Volume number/sequential designation v. 53
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc Includes bibliographical references and index.
520 ## - SUMMARY, ETC.
Summary, etc Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for development. The first part provides a basic understanding of the factors governing protein-ligand interaction, followed by a comparison of the four key experimental methods (calorimetry, surface plasmon resonance, NMR and X-ray crystallography) used in generating interaction data. The second half of the book is devoted to in-silico methods of modeling and predicting molecular recognition and binding. Here, as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at unresolved challenges, and the strategies to address them.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note Protein-Ligand Interactions; Contents; List of Contributors; Preface; A Personal Foreword; Part I: Binding Thermodynamics; 1 Statistical Thermodynamics of Binding and Molecular Recognition Models; 1.1 Introductory Remarks; 1.2 The Binding Constant and Free Energy; 1.3 A Statistical Mechanical Treatment of Binding; 1.3.1 Binding in a Square Well Potential; 1.3.2 Binding in a Harmonic Potential; 1.4 Strategies for Calculating Binding Free Energies; 1.4.1 Direct Association Simulations; 1.4.2 The Quasi-Harmonic Approximation; 1.4.3 Estimation of Entropy Contributions to Binding.
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 1.4.4 The MoleculeMechanics Poisson-Boltzmann Surface AreaMethod1.4.5 Thermodynamic Work Methods; 1.4.6 Ligand Decoupling; 1.4.7 Linear Interaction Methods; 1.4.8 Salt Effects on Binding; 1.4.9 Statistical Potentials; 1.4.10 Empirical Potentials; References; 2 Some Practical Rules for the Thermodynamic Optimization of Drug Candidates; 2.1 Engineering Binding Contributions; 2.2 Eliminating Unfavorable Enthalpy; 2.3 Improving Binding Enthalpy; 2.4 Improving Binding Affinity; 2.5 Improving Selectivity; 2.6 Thermodynamic Optimization Plot; Acknowledgments; References.
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 3 Enthalpy-Entropy Compensation as Deduced from Measurements of Temperature Dependence3.1 Introduction; 3.2 The Current Status of Enthalpy-Entropy Compensation; 3.3 Measurement of the Entropy and Enthalpy of Activation; 3.4 An Example; 3.5 The Compensation Temperature; 3.6 Effect of High Correlation on Estimates of Entropy and Enthalpy; 3.7 Evolutionary Considerations; 3.8 Textbooks; References; Part II: Learning from Biophysical Experiments; 4 Interaction Kinetic Data Generated by Surface Plasmon Resonance Biosensors and the Use of Kinetic Rate Constants in Lead Generation and Optimization.
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 4.1 Background4.2 SPR Biosensor Technology; 4.2.1 Principles; 4.2.2 Sensitivity; 4.2.3 Kinetic Resolution; 4.2.4 Performance for Drug Discovery; 4.3 From Interaction Models to Kinetic Rate Constants and Affinity; 4.3.1 Determination of Interaction Kinetic Rate Constants; 4.3.2 Determination of Affinities; 4.3.3 Steady-State Analysis versus Analysis of Complete Sensorgrams; 4.4 Affinity versus Kinetic Rate Constants for Evaluation of Interactions; 4.5 From Models to Mechanisms; 4.5.1 Irreversible Interactions; 4.5.2 Induced Fit; 4.5.3 Conformational Selection.
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 4.5.4 Unified Model for Dynamic Targets4.5.5 Heterogeneous Systems/Parallel Reactions; 4.5.6 Mechanism-Based Inhibitors; 4.5.7 Multiple Binding Sites and Influence of Cofactors; 4.6 Structural Information; 4.7 The Use of Kinetic Rate Constants in Lead Generation and Optimization; 4.7.1 Structure-Kinetic Relationships; 4.7.2 Selectivity/Specificity and Resistance; 4.7.3 Chemodynamics; 4.7.4 Thermodynamics; 4.8 Designing Compounds with Optimal Properties; 4.8.1 Correlation between Kinetic and Thermodynamic Parameters and Pharmacological Efficacy; 4.8.2 Structural Modeling; 4.9 Conclusions.
588 0# -
-- Print version record.
526 ## - STUDY PROGRAM INFORMATION NOTE
Department Pharmacy
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Proteins.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Ligands (Biochemistry)
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Ligand binding (Biochemistry)
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Drugs
General subdivision Structure-activity relationships.
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element MEDICAL
General subdivision Drug Guides.
Source of heading or term bisacsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element MEDICAL
General subdivision Nursing
-- Pharmacology.
Source of heading or term bisacsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element MEDICAL
General subdivision Pharmacology.
Source of heading or term bisacsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element MEDICAL
General subdivision Pharmacy.
Source of heading or term bisacsh
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Drugs
General subdivision Structure-activity relationships.
Source of heading or term fast
-- (OCoLC)fst00898929
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Ligand binding (Biochemistry)
Source of heading or term fast
-- (OCoLC)fst00998460
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Ligands (Biochemistry)
Source of heading or term fast
-- (OCoLC)fst00998471
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Proteins.
Source of heading or term fast
-- (OCoLC)fst01079711
655 #4 - INDEX TERM--GENRE/FORM
Genre/form data or focus term Electronic books.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Gohlke, Holger.
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Display text Print version:
Title Protein-ligand interactions.
Place, publisher, and date of publication Weinheim : Wiley-VCH, ©2012
International Standard Book Number 9783527645978
Record control number (OCoLC)787843753
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title Methods and principles in medicinal chemistry ;
Volume number/sequential designation v. 53.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="http://dx.doi.org/10.1002/9783527645947">http://dx.doi.org/10.1002/9783527645947</a>
Public note Wiley Online Library
994 ## -
-- 92
-- DG1

No items available.