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Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding
The latest biological findings observe that the motionless “lock‐and‐key” theory is not generally applicable and that changes in atomic sites and binding pose can provide important information for understanding drug binding. However, the computational expenditure limits the growth of protein traject...
| Autores principales: | , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9685463/ https://www.ncbi.nlm.nih.gov/pubmed/36202759 http://dx.doi.org/10.1002/advs.202203796 |