3D Structure-based design
|The SeeSAR module for StarDrop provides a state-of-the-art and scientifically rigorous approach to understanding the 3-dimensional (3D) binding of compounds to their protein targets.|
Developed in collaboration with BioSolveIT, the SeeSAR module enables you to easily visualise 3D ligand and protein structures and identify the key interactions driving binding affinity. These structures can be derived from X-ray crystallography or predicted with any docking software, facilitating collaboration between computational modellers and medicinal chemists to optimise compounds.
Linking Design in Two and Three Dimensions
SeeSAR’s visualisations are seamlessly integrated with StarDrop’s chemoinformatics methods based on 2-dimensional (2D) compound structure and its unique Card View environment. This combination quickly gives new insights into the structure-activity relationships within your project chemistry and guides the design of high-quality, potent compounds.