Precision Covalent Design
Targeted Covalent Inhibitor Discovery Software for Potency
Looking at this, design irreversible inhibitors targeted on sealed cysteins and other nucleophages with our specialized covalent discovery package.
Why Use Our Software?
Covalent Inhibitors, Reactivity Optimized
The main point is that probable covalent reactivity, binding spot and therapeutic forefinger to design highly selective and perdurable inhibitors safely.
Covalent potency without toxicity.
See Software DocumentationReactivity Profiling
Warhead and Protein Reactivity Prediction
100+ warheads, 20K+ cysteines scored for reactivity.
The procedure this works is that quantum machinists modelling foretells intrinsic responsiveness, protein modification rates, and off-butt committednesses.
Explore Reactivity Tools
Covalent Docking Engine
Reversible + Covalent Binding Poses
Accounts for bond formation dynamics and protein motion.
Basically, specialised inking simulates the formation of covalent adducts with entropic authorities and hydrogen-to-water networks.
View Docking FeaturesTherapeutic Index Modeling
Selectivity and Duration Optimization
Kinome-wide cysteine profiling. Residence time prediction.
From a technical perspective, target Class Selectivity Forecasts and PK/PD Modeling Selection Guide Warhead for Optimal vs. – Toxicity.
Learn About Selectivity
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