Article

Applying multi-state modeling using AlphaFold2 for kinases and its application for ensemble screening

2024-04-06

Abstract excerpt

Structure-based virtual screening (SBVS) is a pivotal computational approach in drug discovery, enabling the identification of potential drug candidates within vast chemical libraries by predicting their interactions with target proteins. The SBVS relies on the receptor protein structures, making it sensitive to structural variations. Kinase, one of the major drug targets, is known as one of the typical examples o...

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Literature Corpus work: f2226602-b478-542f-900a-5cd59eadcc57
DOI: 10.1101/2024.04.04.588044

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