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Rapid and accurate structure-based therapeutic peptide design using GPU accelerated thermodynamic integration
Peptide-based therapeutics are an alternative to small molecule drugs as they offer superior specificity, lower toxicity, and easy synthesis. Here we present an approach that leverages the dramatic performance increase afforded by the recent arrival of GPU accelerated thermodynamic integration (TI)....
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| Publicat a: | Proteins |
|---|---|
| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8091910/ https://ncbi.nlm.nih.gov/pubmed/30520126 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.25644 |
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