Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond
Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond
Multi-target drug design is an innovative new paradigm in the drug development process. With the help of growing open data sources, in silico modeling approaches have become successful tools to discover and investigate multi-target drugs. In this chapter, we describe a workflow for retrieving and curating information for multiple drug targets from the open domain, provide insights into how the retrieved data can be employed in ligand and structure-based approaches, and discuss the hurdles to consider with respect to data analysis.
- University of Vienna Austria
Multi-target drug design, KNIME workflow, Ligand-based design, Molecular docking, Molecular dynamics simulation, Open data, Structure-based design, 301207 Pharmazeutische Chemie, 301207 Pharmaceutical chemistry, Protein homology modeling
Multi-target drug design, KNIME workflow, Ligand-based design, Molecular docking, Molecular dynamics simulation, Open data, Structure-based design, 301207 Pharmazeutische Chemie, 301207 Pharmaceutical chemistry, Protein homology modeling
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