Comprehensive detection and characterization of human druggable pockets through novel binding site descriptors

Abstract excerpt

Druggable pockets are protein regions that have the ability to bind organic small molecules, and their characterization is essential in target-based drug discovery. However, strategies to derive pocket descriptors are scarce and usually exhibit limited applicability. Here, we present PocketVec, a novel approach to generate pocket descriptors for any protein binding site of interest through the inverse virtual scre...

Topics

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• Bioinformatics and Genomic Networks
• Computational Drug Discovery Methods
• Microbial Natural Products and Biosynthesis
• Monoclonal and Polyclonal Antibodies Research
• RNA and protein synthesis mechanisms
• SARS-CoV-2 and COVID-19 Research
• vaccines and immunoinformatics approaches

Identifiers and source

Literature Corpus work

8d862fb9-5c18-5d53-b041-fab33f280848

DOI

10.1101/2024.03.14.584971