Solutions
Drug discovery services
Find answers for target-validation, hit-identification, hit-to-lead and lead optimization
Technology partnerships
Build or enhance your platform by integrating cutting-edge novel scientific solutions
Preclinical partnerships
Increase your pipeline by collaborating withus on drug discovery programs
Software
ACEMD platform
PlayMolecule platform
info@acellera.com
Exploring the Alchemical Transfer Method
Simplifying Protein-Ligand Binding Predictions
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Platform
ACEMD
Biomolecular molecular simulation programmable environment
PlayMolecule
Computable drug discovery virtual environment
Exploring the Alchemical Transfer Method
Simplifying Protein-Ligand Binding Predictions
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Resources
Platform
Software and Documentation
Read the official Acellera software documentation
PlayMolecule.com
Try the web front-end to the PlayMolecule platform.
Resources
Blog
News, updates and the latest by the Acellera team.
Science
Discover more about the science behind Acellera.
Exploring the Alchemical Transfer Method
Simplifying Protein-Ligand Binding Predictions
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Join us in our mission towards computable drug discovery
info@acellera.com
Exploring the Alchemical Transfer Method
Simplifying Protein-Ligand Binding Predictions
Read more
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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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