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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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Bibliográfalaš dieđut
Váldodahkkit: Shannon T Smith, Jens Meiler
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: Public Library of Science (PLoS) 2020-01-01
Ráidu:PLoS ONE
Liŋkkat:https://doi.org/10.1371/journal.pone.0240450
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