1357913656560 1142e8fbae0d8bddccd2293c266abf54

Acellera Ltd

Greater London, GB

Acellera is a high-technology company focused on developing high-throughput molecular dynamics techniques that deliver solutions for estimating common physico-chemical properties such as binding affinities, kinetics, poses and pathways with validated accuracy.

Acellera Ltd has not listed any services.

In silico Binding Assay
Price on request

Understand protein-ligand interactions with all atom resolution using our high-throughput molecular dynamics technology. Obtain binding poses, kinetics, binding affinities and binding pathways for your compounds of choice.

Understand protein-ligand interactions with all atom resolution using our high-throughput molecular dynamics technology. Obtain binding poses, kinetics, binding affinities and binding pathways for your compounds of choice.

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Fragment Screening
Price on request

Probe the binding properties of your fragment hits. Understand their binding pose, and affinity, as well as the specificity and selectivity of the interactions between the ligands and the target receptor.

  • Target conformational space study
  • Binding site discovery
  • Binding pose determination
  • Thermodynamics of binding,... Show more »

Probe the binding properties of your fragment hits. Understand their binding pose, and affinity, as well as the specificity and selectivity of the interactions between the ligands and the target receptor.

  • Target conformational space study
  • Binding site discovery
  • Binding pose determination
  • Thermodynamics of binding, dG
  • Kinetics of binding, kon/koff
  • Video reports

This platform for small molecule discovery is unique in that it can assign binding site (including selectivity of binding and specificity of the intereaction), and pose (of binding and any metastable states) thanks to the simulation speeds we can obtain with Metrocubo, and the skills we are developing in data analysis. No other platform can give such complete data sets, which we can also help validate experimentally via NMR. This information can be invaluable for generating high affinity compounds for any target. In fact, there are many success stories in pharma relating the power of fragment based approaches for drug discovery.

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Molecular Dynamics Simulations
Price on request

On-demand molecular dynamics simulations service on our AceCloud infrastructure. Obtain up to a millisecond of molecular dynamics (MD) data using our patent-pending AceCloud compute infrastructure. Data analysis assistance is optional.

On-demand molecular dynamics simulations service on our AceCloud infrastructure. Obtain up to a millisecond of molecular dynamics (MD) data using our patent-pending AceCloud compute infrastructure. Data analysis assistance is optional.

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Conformational Analysis
Price on request

Conformational Analysis & pocket detection

Determine the conformer space of biomolecule including small peptide, nucleic acid, carbohydrate or larger target protein in terms of their kinetic and thermodynamic fingerprints. Detect new pocket (allosteric, cryptic). Determine structures compatible with NMR data.

Conformational Analysis & pocket detection

Determine the conformer space of biomolecule including small peptide, nucleic acid, carbohydrate or larger target protein in terms of their kinetic and thermodynamic fingerprints. Detect new pocket (allosteric, cryptic). Determine structures compatible with NMR data.

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Computational Modeling
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Equipment & Software
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Software and Apps
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Cloud computing
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Molecular Dynamics Software
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Hit Identification
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Drug Discovery & Development
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Computational & Statistical Analysis
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Drug Discovery
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2017-10-17 07:57:25 -0700

Net Promoter Score of 9 received for Molecular Dynamics Simulations.

Additional Ratings: satisfaction with deliverable: 9, satisfaction with timeliness: 8.
2017-06-26 09:30:33 -0700

Net Promoter Score of 8 received for Conformational Analysis.

Additional Ratings: satisfaction with deliverable: 9, satisfaction with timeliness: 7.
2016-12-09 09:11:29 -0800

Net Promoter Score of 10 received for Molecular Dynamics Simulations.

Additional Ratings: satisfaction with deliverable: 9, satisfaction with timeliness: 10.

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