Methods in Molecular Biology Vol.1289 Fragment-Based Methods in Drug Discovery

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.

• Series: Methods in Molecular Biology (Book 1289)
• Hardcover: 230 pages
• Publisher: Humana Press; 2015 edition (February 24, 2015)
• Language: English
• ISBN-10: 1493924850
• ISBN-13: 978-1493924851
• Product Dimensions: 7 x 0.6 x 10 inches

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