Fragment-Based Methods in Drug Discovery

Anthony E. Klon

ISBN 10: 1493946145 / ISBN 13: 9781493946143

Published by Springer New York Okt 2016, 2016

About this Item

This item is printed on demand - it takes 3-4 days longer - Neuware -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. 240 pp. Englisch.

Seller Inventory # 9781493946143

Bibliographic Details

• Title: Fragment-Based Methods in Drug Discovery
• Publisher: Springer New York Okt 2016
• Publication Date: 2016
• Language: English
• ISBN 10: 1493946145
• ISBN 13: 9781493946143
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 254W x 178H x 13D millimeters 254 millimeters width by 178 millimeters height by 13 millimeters depth
• Weight: 514 grams

About this title

Synopsis

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.