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Our SoluTions

Accelerate Your Discovery Programs

Find promising candidates rapidly
Instant access to world-class AI expertise and infrastructure
Save costs by skipping in-house teams
ISO 27001 certified company
Acellera ACEMD preview code
small molecule DRUG Discovery

From Target to Leads in Weeks

Leveraging our QuantumBind® platform, we can go from target to a prioritized list of leads in weeks. We work with you to ensure you have the highest possible chances of success with your discovery program. We execute, you retain the IP.
Target Druggability

Insights Worth Millions

We provide insights about your target's conformational space and druggable binding pockets. We specialize in hard-to-find "cryptic" pockets, typically inaccessible with experimental techniques.
Technologies we use:
Mixed-solvent molecular dynamics simulations
Sampling of the protein conformational space
Markov state model analysis
Hit Identification

Gigascale Virtual Screening

We deliver more and better hits, as we can perform virtual screening campaigns on very large chemical spaces, such as REAL Space (>109). At such scales, every hit will have thousands of analogs and derivatives within similar space, which can support optimization.
Technologies we use:
Generative AI for de novo and decorative drug design
Ultra-fast library search algorithms
Hit-to-lead Optimization

We Propose, You Decide

We perform multi-parametric optimization to deliver molecules with your desired physicochemical properties. Our platform will regularly propose new optimized candidates for you to decide on.
Technologies we use:
2D and 3D machine learning scoring models
Binding free energy calculations
Free, restrained, and tethered docking
Pharmacophoric scoring
ADME predictive models

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