Find Hits For Your Target Within Days with Tamarind Virtual Screen
Thousands of novel hits for your target within 3 days from a diverse library of up to billions of commercially available compounds.
State of the art 3D virtual screen
We apply our ligand and structure based binding affinity and pose prediction tools for large libraries using our massively parallel computing infrastructure, allowing for cost and time effective hit identification. Our approach utilizes both physics-based simulation and machine learning tools optimized for each target, producing thousands of diverse high-affinity hits.
We support targets with known binding sites/residues along with blind docking cases. Our high performance computing infrastructure ensures high accuracy and cost effectiveness without compromising on speed.
How it works
Partner provides a target they want to design a small molecule for
Select billions of compounds from our commercially available libraries to run against your target
Within 3 days, receive thousands of virtual hits, ready to be ordered from suppliers such as Enamine, MolPort, and Sigma-Aldrich
Our software provides recommendations for optimizations in turning these hits to selective leads. We will also work with you to incorporate your insights and computationally score each modification.
Screen hits for toxicity and ADME properties.
Lead optimization & High Accuracy Simulation
After identifying diverse, purchasable hits, we offer ML-based and molecular dynamics as a white glove service to pick the best hits. We will run highly accurate dynamics simulations to calculate absolute binding affinities for your top hits, providing custom recommendations on next steps.
We also offer machine learning based modification and scoring for top hits, producing higher affinity alternatives for the predicted hits, scored using either molecular docking or MD.
White glove service
The engineers who built the software used for the virtual screen will be available to you throughout the hit identification process, working with you to customize libraries, recommend hits to prioritize, or any computational need you may need. We will respond to all questions within 12 hours.
Questions?
Please feel free to book a time with the founders here, or get in touch at info@tamarind.bio!
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