The Resource Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark

Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark

Label
Drug design strategies : computational techniques and applications
Title
Drug design strategies
Title remainder
computational techniques and applications
Statement of responsibility
editors, Lee Banting and Tim Clark
Contributor
Subject
Genre
Language
eng
Summary
This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems. The information need for a book in this area is due to the continuing rapid advance of firstly theoretical approaches, secondly software/hardware and lastly the successful application of the technology and this book fills a gap in the literature. The co-editors have extensive experience of teaching and researching in the field and the book includes contributions from cutting-edge academic and industrial researchers in their respective fields. It is essential reading for medicinal chemists, computational chemists and those in the pharmaceutical industry
Member of
Cataloging source
UKRSC
Dewey number
615.1900113
Illustrations
illustrations
Index
index present
LC call number
RS420
LC item number
.D78 2012eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
NLM call number
QV 744
http://library.link/vocab/relatedWorkOrContributorDate
1949-
http://library.link/vocab/relatedWorkOrContributorName
  • Banting, Lee
  • Clark, Tim
Series statement
RSC Drug Discovery Series
Series volume
20
http://library.link/vocab/subjectName
  • Drugs
  • Models, Chemical
  • Physiological Phenomena
  • Analytical, Diagnostic and Therapeutic Techniques and Equipment
  • Information Science
  • Chemistry
  • Drug Discovery
  • Biological Science Disciplines
  • Disciplines and Occupations
  • Pharmacological Phenomena
  • Computing Methodologies
  • Chemistry, Pharmaceutical
  • Phenomena and Processes
  • Pharmacology
  • Natural Science Disciplines
  • Molecular Structure
  • Structure-Activity Relationship
  • Models, Theoretical
  • Chemical Phenomena
  • Biochemical Phenomena
  • Investigative Techniques
  • Molecular Dynamics Simulation
  • Models, Molecular
  • Quantitative Structure-Activity Relationship
  • Chemical Phenomena
  • Drug Design
  • Drug Design
  • Models, Chemical
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Quantitative Structure-Activity Relationship
  • Computer Simulation
Label
Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark
Link
https://ezproxy.lib.ou.edu/login?url=http://dx.doi.org/10.1039/9781849733403
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Introduction; Quantum Mechanical/Molecular Mechanical Approaches in Drug Design; Transition Metal Systems; Modeling Protein-Protein Interactions by Rigid-body Docking; QM Based Modelling; Semi-empirical Methods: Current Status and Future Directions; Quantum Chemical Topology: on Descriptors, Potentials and Fragments; Cheminformatics in Diverse Dimensions; Analysing Molecular Surface Properties; Atomistic Modelling of Drug Delivery Systems; Index
Dimensions
unknown
Extent
1 online resource (x, 239 pages)
Form of item
online
Isbn
9781621981398
Media category
computer
Media MARC source
rdamedia
Media type code
c
Note
Royal Society of Chemistry
Other control number
99953065800
Other physical details
illustrations.
Specific material designation
remote
Stock number
T3510
System control number
  • (OCoLC)773586492
  • (OCoLC)ocn773586492
Label
Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark
Link
https://ezproxy.lib.ou.edu/login?url=http://dx.doi.org/10.1039/9781849733403
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Introduction; Quantum Mechanical/Molecular Mechanical Approaches in Drug Design; Transition Metal Systems; Modeling Protein-Protein Interactions by Rigid-body Docking; QM Based Modelling; Semi-empirical Methods: Current Status and Future Directions; Quantum Chemical Topology: on Descriptors, Potentials and Fragments; Cheminformatics in Diverse Dimensions; Analysing Molecular Surface Properties; Atomistic Modelling of Drug Delivery Systems; Index
Dimensions
unknown
Extent
1 online resource (x, 239 pages)
Form of item
online
Isbn
9781621981398
Media category
computer
Media MARC source
rdamedia
Media type code
c
Note
Royal Society of Chemistry
Other control number
99953065800
Other physical details
illustrations.
Specific material designation
remote
Stock number
T3510
System control number
  • (OCoLC)773586492
  • (OCoLC)ocn773586492

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