Leveraging AlphaFold2 structural space exploration for generating drug target structures in structure-based virtual screening

Leveraging AlphaFold2 structural space exploration for generating drug target structures in structure-based virtual screening

Computational virtual screening (VS) plays a vital role in early-stage drug discovery by enabling the efficient selection of candidate compounds and reducing associated costs. However, the absence of experimentally determined three-dimensional protein structures often limits the applicability of str...

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Bibliographic Details
Main Authors: Keisuke Uchikawa, Kairi Furui, Masahito Ohue
Format: Article
Language:English
Published: Elsevier 2025-09-01
Series:Biochemistry and Biophysics Reports
Subjects:
AlphaFold2
Structure-based virtual screening
Structure-based drug design
Protein structures
Conformational changes
Online Access:http://www.sciencedirect.com/science/article/pii/S2405580825001979
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