Macs in Chemistry

Insanely Great Science

SeeSAR for Parallelized Fragment Growing & Pocket Exploration

 

I see that SeeSAR now supports a parallelized 'real' fragment growing.

SeeSAR is a software tool for interactive, visual compound prioritisation as well as compound evolution. Structure-based design work ideally supports a multi-parameter optimization to maximise the likelihood of success, rather than affinity alone. Having the relevant parameters at hand in combination with real-time visual computer assistance in 3D is one of the strengths of SeeSAR. Stimulating exploration with SeeSAR, we have embarked on pursuing a new cheminformatics compute paradigm of "Propose & Validate".

d0029fff-17c1-46ea-8d52-6f925b77101d-medium

You can download SeeSAR here and use it for free for 7 days.

blog comments powered by Disqus