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Accelerating Cryptic Pocket Discovery Using AlphaFold
[Image: see text] Cryptic pockets, or pockets absent in ligand-free, experimentally determined structures, hold great potential as drug targets. However, cryptic pocket openings are often beyond the reach of conventional biomolecular simulations because certain cryptic pocket openings involve slow m...
Autores principales: | Meller, Artur, Bhakat, Soumendranath, Solieva, Shahlo, Bowman, Gregory R. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373493/ https://www.ncbi.nlm.nih.gov/pubmed/36948209 http://dx.doi.org/10.1021/acs.jctc.2c01189 |
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