What is it?

Mexa Screen is our SaaS-based computational chemistry software — designed to be the easiest drug design tool in the world, while delivering the most accurate results.

 

What does it do?

• Calculates binding affinity and drug-like properties of cyclic peptides.
• Tests hypotheses in silico before you spend resources in the lab.

 

Why is it easy to use?

1. Two ways to work – Use the panel or the chatbot. Forget which button to click? Just chat with the bot like you would with a colleague to run calculations.
2. Automated preparation –
   • Target structure is fetched directly from the PDB databank.
   • Missing amino acids are added automatically.
   • Correct protonation states are chosen for you.

1. One-click peptide building –

1. • 3D cyclic peptide structures generated from amino acid names.
   • Non-canonical amino acids require no manual building or parametrization — simply select from the catalog.

1. AI interpretation –

1. • Computational results are less intuitive than biological readouts.
   • Mexa’s AI agent interprets the findings in plain language and suggests next steps to improve your candidate.

Computational Accuracy Needs Computational Power

High-accuracy free-energy and physics-based simulations require massive CPU/GPU time and careful sampling. Mexa Screen moves that load to the cloud so you get precise, reproducible results — no local hardware, no guesswork