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De novo prediction of explicit water molecule positions by a novel algorithm within the protein design software MUMBO
By mediating interatomic interactions, water molecules play a major role in protein–protein, protein–DNA and protein–ligand interfaces, significantly affecting affinity and specificity. This notwithstanding, explicit water molecules are usually not considered in protein design software because of hi...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10550942/ https://www.ncbi.nlm.nih.gov/pubmed/37794104 http://dx.doi.org/10.1038/s41598-023-43659-w |