ENGLISH

Fragment-Based Methods in Drug Discovery

By Anthony E. Klon (eds.)

Book information

Publisher
Humana Press
Year
2015
ISBN
1493924850, 9781493924851
DOI
10.1007/978-1-4939-2486-8
ISSN
1064-3745
LCC
2015931254
Language
english
Format
PDF
Filesize
9 MB (9066423 bytes)
Series
Methods in Molecular Biology 1289
Edition
1
Pages
230\241
Topic
Biology Molecular
Orientation
yes
Paginated
yes
Scanned
portrait
Time added
2015-03-01 19:47:22
Pharmacology/Toxicology

Description

This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the Methods in Molecular Biology series, this work contains the kind of detailed description and implementation advice to encourage success in the lab. Practical and cutting-edge, Fragment-Based Methods in Drug Discovery takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study.

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