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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Bibliografiska uppgifter
I publikationen:ChemMedChem
Huvudupphovsmän: Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Materialtyp: Artigo
Språk:Inglês
Publicerad: John Wiley and Sons Inc. 2018
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Full Papers
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC5900740/
https://ncbi.nlm.nih.gov/pubmed/29337438
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201700754
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