Solutions for small molecule drug discovery
- Ideal for protein structure based design and optimization of hit compounds
- Has a slick, sophisticated user interface
- Structure generation can be run remotely on a cluster of nodes
- Ability to use your own library of fragments
- Helps you to select your structures based on various criteria
SPROUT is a sophisticated de novo design tool for designing new hit compounds by building skeletons from fragments within the active site of your target.
SPROUT is an excellent synergy with fragment-based hit discovery by allowing you to build structures with your own imported fragments.
SPROUT-HitOpt is designed for optimizing hit compounds within the target’s active site.
SynSPROUT is aimed to generate synthetically accessible ligands by de novo design.
Skeletons are generated from fragments by joining them together via virtual synthetic reactions.
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You need a high-performing, reliable and easy-to-use software solution to speed up your next big scientific breakthrough. Getting the right solution is integral to advance your research and workflow.