For a sport like basketball, you really need a combination of structure and freedom.
Starting from a virtual screening hit, activity was optimized through a combination of structure-based design and physical property optimization.
Graphical Abstract Using a combination of structure-based and ligand-based pharmacophores, agonist and antagonist ligands of the Nuclear Receptors included in the NRLiSt BDB database could be separated.
Here we report on the identification of novel allosteric inhibitors of HCV NS5B through a combination of structure-based virtual screening and in vitro NS5B inhibition assays.
The data model uses a combination of structured text and network Common Data Form (netCDF) files to represent parameters, geographical, time series, and gridded space-time data.
This unwanted property was successfully removed from the described inhibitors through a combination of structure-based design and medicinal chemistry activities.
In order to make a discriminative model that classifies group of SULT1A1 binders into substrates and inhibitors, a combination of structure, ligand-based, and docking based pharmacophores have been generated and validated by Ligandscout [4].
Novel small molecule inhibitors of heat shock protein 90 (Hsp90) were discovered with the help of a fragment based drug discovery approach (FBDD) and subsequent optimization with a combination of structure guided design, parallel synthesis and application of medicinal chemistry principles.
Here, we investigated the dynamics of the type I interferon (IFN) receptor, IFNAR1, and its effect on signaling upon binding IFN and IFNAR2 using a combination of structure-based mechanistic studies, in situ binding, and gene induction assays.
Samples of commercial-grade i-PP, both neat and nucleated with a specific β-nucleating agent (N,N′-dicyclohexylnaphthalene-2,6-dicarboxamide), were subjected to a combination of structure-sensitive methods and fracture mechanical testing.
