Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

Each year vast international resources are wasted on irreproducible research. The scientific community has been slow to adopt standard software engineering practices, despite the increases in high-dimensional data, complexities of workflows, and computational environments. Here we show how scientifi...

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Detalles Bibliográficos
Autores principales: Koehler Leman, Julia, Lyskov, Sergey, Lewis, Steven M., Adolf-Bryfogle, Jared, Alford, Rebecca F., Barlow, Kyle, Ben-Aharon, Ziv, Farrell, Daniel, Fell, Jason, Hansen, William A., Harmalkar, Ameya, Jeliazkov, Jeliazko, Kuenze, Georg, Krys, Justyna D., Ljubetič, Ajasja, Loshbaugh, Amanda L., Maguire, Jack, Moretti, Rocco, Mulligan, Vikram Khipple, Nance, Morgan L., Nguyen, Phuong T., Ó Conchúir, Shane, Roy Burman, Shourya S., Samanta, Rituparna, Smith, Shannon T., Teets, Frank, Tiemann, Johanna K. S., Watkins, Andrew, Woods, Hope, Yachnin, Brahm J., Bahl, Christopher D., Bailey-Kellogg, Chris, Baker, David, Das, Rhiju, DiMaio, Frank, Khare, Sagar D., Kortemme, Tanja, Labonte, Jason W., Lindorff-Larsen, Kresten, Meiler, Jens, Schief, William, Schueler-Furman, Ora, Siegel, Justin B., Stein, Amelie, Yarov-Yarovoy, Vladimir, Kuhlman, Brian, Leaver-Fay, Andrew, Gront, Dominik, Gray, Jeffrey J., Bonneau, Richard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8630030/
https://www.ncbi.nlm.nih.gov/pubmed/34845212
http://dx.doi.org/10.1038/s41467-021-27222-7

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