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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...

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Detalhes bibliográficos
Publicado no:ChemMedChem
Main Authors: Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2018
Assuntos:
Acesso em linha: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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