TWN-FS method: A novel fragment screening method for drug discovery

TWN-FS method: A novel fragment screening method for drug discovery

Fragment-based drug discovery (FBDD) is a well-established and effective method for generating diverse and novel hits in drug design. Kinases are suitable targets for FBDD due to their well-defined structure. Water molecules contribute to structure and function of proteins and also influence the env...

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Bibliographic Details
Main Authors: Hye Ree Yoon, Gyoung Jin Park, Anand Balupuri, Nam Sook Kang
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Water network
Hot spots
Fragment screening
Fragment-based drug design
CDK2
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037023003495

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http://www.sciencedirect.com/science/article/pii/S2001037023003495

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