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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| Autori principali: | , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Public Library of Science (PLoS)
2020-01-01
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| Serie: | PLoS ONE |
| Accesso online: | https://doi.org/10.1371/journal.pone.0240450 |
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