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Introducing ligand GA, a genetic algorithm molecular tool for automated protein inhibitor design
Ligand GA is introduced in this work and approaches the problem of finding small molecules inhibiting protein functions by using the protein site to find close to optimal or optimal small molecule binders. Genetic algorithms (GA) are an effective means for approximating or solving computationally ha...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9719503/ https://www.ncbi.nlm.nih.gov/pubmed/36463310 http://dx.doi.org/10.1038/s41598-022-22281-2 |