Solutions
Drug discovery services
Find answers for your discovery programs target-validation, hit-identification, hit-to-lead and lead optimization
Preclinical collaborations
Use our platform to enhance your drug discovery programs
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Experimental-accuracy RBFE calculations (call for collaborations)
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Platform
ACEMD
Biomolecular molecular simulation programmable environment
PlayMolecule
Computable drug discovery virtual environment
Experimental-accuracy RBFE calculations (call for collaborations)
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Pipeline
Resources
Platform
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PlayMolecule.com
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News, updates and the latest by the Acellera team.
Science
Discover more about the science behind Acellera.
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Experimental-accuracy RBFE calculations (call for collaborations)
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Drug discovery partnerships
Our solutions
We focus on preclinical drug discovery where we aim to accelerate discovery and reduce experimental costs. We develop and use molecular dynamics simulations and machine learning.
Experimental Validation
Delivering High-Quality Molecules Through Our Platform
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Relative Binding Affinity Prediction
Lead optimization via relative binding affinities at scale
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De-Novo And Decorative Library Generation
De-novo library generative modelling
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Deep Learning Molecular Properties
Molecular property prediction via machine learning
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In Silico Binding Assay: Molecular Dynamics For Binding Mode Prediction
Binding mode determination and more
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In Silico Conformational Assay: Molecular Dynamics To Study Protein Flexibility
4D structure prediction
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AceDock: Virtual Screening And Docking
Screening large compound libraries
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CrypticScout: Mixed Solvent Molecular Dynamics For Drug Discovery
Fragment binding mode determination
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