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Assessing multiple score functions in Rosetta for drug discovery
Rosetta is a computational software suite containing algorithms for a wide variety of macromolecular structure prediction and design tasks including small molecule protocols commonly used in drug discovery or enzyme design. Here, we benchmark RosettaLigand score functions and protocols in comparison...
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| Pubblicato in: | PLoS One |
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| Autori principali: | , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Public Library of Science
2020
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7549810/ https://ncbi.nlm.nih.gov/pubmed/33044994 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0240450 |
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