Cryo-EM ligand building using AlphaFold3-like model and molecular dynamics.

Resolving protein-ligand interactions in atomic detail is key to understanding how small molecules regulate macromolecular function. Although recent breakthroughs in cryogenic electron microscopy (cryo-EM) have enabled high-quality reconstruction of numerous complex biomolecules, the resolution of b...

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Bibliographic Details
Main Authors: Nandan Haloi, Rebecca J Howard, Erik Lindahl
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2025-08-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1013367
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