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3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery
eScience technologies are needed to process the information available in many heterogeneous types of protein–ligand interaction data and to capture these data into models that enable the design of efficacious and safe medicines. Here we present scientific KNIME tools and workflows that enable the in...
Autores principales: | Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5900740/ https://www.ncbi.nlm.nih.gov/pubmed/29337438 http://dx.doi.org/10.1002/cmdc.201700754 |
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