Coverart for item
The Resource Computer-aided drug discovery, edited by Wei Zhang

Computer-aided drug discovery, edited by Wei Zhang

Label
Computer-aided drug discovery
Title
Computer-aided drug discovery
Statement of responsibility
edited by Wei Zhang
Contributor
Editor
Subject
Language
eng
Summary
This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology
Member of
Cataloging source
GW5XE
Illustrations
illustrations
Index
index present
Literary form
non fiction
Nature of contents
dictionaries
Series statement
Methods in pharmacology and toxicology,
Computer-aided drug discovery, edited by Wei Zhang
Label
Computer-aided drug discovery, edited by Wei Zhang
Link
http://libproxy.rpi.edu/login?url=http://link.springer.com/10.1007/978-1-4939-3521-5
Publication
Note
Includes index
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Related Location
Related Agents
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Antecedent source
unknown
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
Molecular Dynamics Simulations and Computer-Aided Drug Discovery -- A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules -- Incorporating Receptor Flexibility into Structure-Based Drug Discovery -- Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drug Discovery -- CAVITY: Mapping the Druggable Binding Site -- Methods for Detecting Protein Binding Interfaces -- MDock: An Ensemble Docking Suite for Molecular Docking, Scoring, and In Silico Screening -- Pharmacophore Modeling: Methods and Applications -- Computational Fragment-Based Drug Design -- Applications of the Fragment Molecular Orbital Method to Drug Research -- Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases
http://library.link/vocab/cover_art
https://contentcafe2.btol.com/ContentCafe/Jacket.aspx?Return=1&Type=S&Value=9781493935192&userID=ebsco-test&password=ebsco-test
Dimensions
unknown
http://library.link/vocab/discovery_link
{'f': 'http://opac.lib.rpi.edu/record=b3822145'}
Extent
1 online resource (xi, 305 pages)
File format
unknown
Form of item
online
Isbn
9781493935192
Lccn
2016942864
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other physical details
illustrations.
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote

Library Locations

    • Folsom LibraryBorrow it
      110 8th St, Troy, NY, 12180, US
      42.729766 -73.682577
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