SeeSAR pose – 3D analysis of virtual libraries
This worked example explores ways to assess and design compounds in 3D using the SeeSAR Pose module.
SeeSAR affinity – binding affinity and torsion angle analysis of virtual libraries
This worked example explores ways to assess the binding affinity of docked compounds.
Guided multi-parameter optimisation of 2D and 3D SAR
This SeeSAR and ADME QSAR worked example uses a combination of 2D and 3D methods to understand and optimise a virtual library of Heat Shock Protein 90 (HSP90) inhibitors.
