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
Resource Information
The item Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Missouri-St. Louis Libraries.This item is available to borrow from 1 library branch.
Resource Information
The item Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Missouri-St. Louis Libraries.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- 1 online resource (x, 239 pages)
- 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
- Isbn
- 9781621981398
- 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
- Subject
-
- Chemical Phenomena
- Computer Simulation
- Drug Design
- Drugs -- Design | Computer simulation
- Drugs -- Design | Computer simulation
- Health & Biological Sciences
- MEDICAL -- Drug Guides
- MEDICAL -- Nursing | Pharmacology
- MEDICAL -- Pharmacology
- MEDICAL -- Pharmacy
- Models, Chemical
- Models, Molecular
- Molecular Dynamics Simulation
- Pharmacology
- Pharmacy, Therapeutics, & Pharmacology
- Quantitative Structure-Activity Relationship
- 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
- 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
- Drug Design
- Computer Simulation
- Models, Chemical
- Models, Molecular
- Molecular Dynamics Simulation
- Chemical Phenomena
- Quantitative Structure-Activity Relationship
- Pharmacology
- MEDICAL
- MEDICAL
- MEDICAL
- MEDICAL
- Drugs
- Pharmacy, Therapeutics, & Pharmacology
- Health & Biological Sciences
- Label
- Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark
- 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
- Control code
- 773586492
- 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
- Other control number
- 99953065800
- Other physical details
- illustrations
- http://library.link/vocab/ext/overdrive/overdriveId
- t3510
- Specific material designation
- remote
- System control number
- (OCoLC)773586492
- Label
- Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark
- 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
- Control code
- 773586492
- 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
- Other control number
- 99953065800
- Other physical details
- illustrations
- http://library.link/vocab/ext/overdrive/overdriveId
- t3510
- Specific material designation
- remote
- System control number
- (OCoLC)773586492
Subject
- Chemical Phenomena
- Computer Simulation
- Drug Design
- Drugs -- Design | Computer simulation
- Drugs -- Design | Computer simulation
- Health & Biological Sciences
- MEDICAL -- Drug Guides
- MEDICAL -- Nursing | Pharmacology
- MEDICAL -- Pharmacology
- MEDICAL -- Pharmacy
- Models, Chemical
- Models, Molecular
- Molecular Dynamics Simulation
- Pharmacology
- Pharmacy, Therapeutics, & Pharmacology
- Quantitative Structure-Activity Relationship
Member of
Library Links
Embed
Settings
Select options that apply then copy and paste the RDF/HTML data fragment to include in your application
Embed this data in a secure (HTTPS) page:
Layout options:
Include data citation:
<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.umsl.edu/portal/Drug-design-strategies--computational-techniques/Bj2sgSCODH4/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.umsl.edu/portal/Drug-design-strategies--computational-techniques/Bj2sgSCODH4/">Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.umsl.edu/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.umsl.edu/">University of Missouri-St. Louis Libraries</a></span></span></span></span></div>
Note: Adjust the width and height settings defined in the RDF/HTML code fragment to best match your requirements
Preview
Cite Data - Experimental
Data Citation of the Item Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark
Copy and paste the following RDF/HTML data fragment to cite this resource
<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.umsl.edu/portal/Drug-design-strategies--computational-techniques/Bj2sgSCODH4/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.umsl.edu/portal/Drug-design-strategies--computational-techniques/Bj2sgSCODH4/">Drug design strategies : computational techniques and applications, editors, Lee Banting and Tim Clark</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.umsl.edu/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.umsl.edu/">University of Missouri-St. Louis Libraries</a></span></span></span></span></div>
