SeeSAR 15 ‘Apollo’
This marks the 50th Release of SeeSAR since inception. We are excited to introduce SeeSAR 15.0: a major update delivering advanced analysis and modeling capabilities. This release focuses on providing researchers with deeper insights and superior decision support through innovative new modes and workflow optimizations.
Activity Spotter Mode
Gain SAR insights based on 3D-aligned compound sets. This mode derives spatial features (Activity Spots) from aligned active and inactive molecules to capture biological activity patterns. It works for both close analogs and diverse chemotypes, helping you identify features that drive activity or act as show-stoppers.
Protein Completion
Handle incomplete protein structures with ease. The updated Protein Editor allows you to model unresolved segments directly by visualizing suggested sequences and remodeling them via energy minimization. This ensures your docking and analysis happen within a complete structural context.
Multiple Templates
Support for multiple templates is now integrated into SeeSAR’s docking and alignment workflows. Utilizing broader template coverage allows for a more comprehensive exploration of the binding site, leading to higher quality results and more reliable docking poses.
MPO Scoring
Prioritize compounds effectively with the new Multi-Parameter Optimization (MPO) score. This feature provides a fast and intuitive method to evaluate your molecules against multiple criteria at once, aiding in the selection of high-quality leads for further development.
Advanced C-S-D
Chemical Space Docking (C-S-D) workflows have been significantly enhanced for efficiency. These updates offer better resource management and control, particularly for large-scale remote compute tasks, facilitating smoother exploration of ultra-vast chemical spaces.
Beginner’s Guide
The SeeSAR Beginner’s Guide has been fully overhauled for version 15.0. It includes new documentation on Activity Spotter, visual elements, hotkey summaries, and improved navigation to help new users master the software quickly.
Try SeeSAR 15 Today!
Integrate these powerful new analysis and modeling tools into your discovery pipeline.