DockStream: a docking wrapper to enhance de novo molecular design

Recently, we have released the de novo design platform REINVENT in version 2.0. This improved and extended iteration supports far more features and scoring function components, which allows bespoke and tailor-made protocols to maximize impact in small molecule drug discovery projects. A major obstac...

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Detalles Bibliográficos
Autores principales: Guo, Jeff, Janet, Jon Paul, Bauer, Matthias R., Nittinger, Eva, Giblin, Kathryn A., Papadopoulos, Kostas, Voronov, Alexey, Patronov, Atanas, Engkvist, Ola, Margreitter, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596819/
https://www.ncbi.nlm.nih.gov/pubmed/34789335
http://dx.doi.org/10.1186/s13321-021-00563-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596819/
https://www.ncbi.nlm.nih.gov/pubmed/34789335
http://dx.doi.org/10.1186/s13321-021-00563-7

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