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...

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Detalles Bibliográficos
Autores principales: Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Full Papers
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

Internet

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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