Article

Molecular Dynamics-Guided Design and Chemoproteomic Profiling of Covalent Kinase Activity Probes

2025-10-18

Abstract excerpt

Covalent small molecule activity probes can be powerful tools to interrogate protein function in native cellular environments. The design of family-wide activity probes requires an understanding of the molecular sources of general targeting potential and specificity to enable broad targeting of protein family members. Here, we developed and applied a multifaceted docking and molecular dynamics (MD) simulation pipe...

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Literature Corpus work: edd0923b-5216-5fad-b6b4-7ca88bce26e8
DOI: 10.1101/2025.10.17.683178

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