Target network Eight communities around hub targets. Illustrative.
Services
Eight service lines, one research partner
Send us your structures, sequences or research question. We set up the study, run it, analyse the results and help you publish them: more than 1,000 projects completed for researchers worldwide.
What we do
Eight lines of work, each with its own method
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01Molecular docking: details
Molecular docking
Docking, virtual screening and interaction analysis. Typical turnaround: 2 days
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02Molecular dynamics: details
Molecular dynamics
Simulation setup, trajectory analysis and binding-energy estimation You receive trajectories and topologies, graphs as images and xmgrace files, structure snapshots, a trajectory movie and a written report. Typical turnaround: 3 days
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03DFT and quantum chemistry: details
DFT and quantum chemistry
Geometry optimization, HOMO–LUMO, MEP and electronic properties. Typical turnaround: 2 days
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04Bioinformatics: details
Bioinformatics
Sequence analysis, protein modelling and biological data analysis. Typical turnaround: 3–5 days
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05Network pharmacology: details
Network pharmacology
Target networks, enrichment analysis and Cytoscape visualizations. Typical turnaround: 3 days
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06Immunoinformatics: details
Immunoinformatics
Epitope prediction and in silico vaccine design. Typical turnaround: 5 days
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07AI and cheminformatics: details
AI and cheminformatics
QSAR, molecular descriptors and predictive models. Typical turnaround: 5–7 days
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08Training and consulting: details
Training and consulting
Workshops, research guidance and customized training. Typical turnaround: On schedule
Turnaround
How long it takes
Typical times for one standard system, counted from the day we receive your files. Larger studies get their own timeline with the quote.
- 01
Molecular docking
2 daysDocking, virtual screening and interaction analysis of one target
- 02
Molecular dynamics
3 daysPer 100 ns simulation. Runs from 100 ns to 2,000 ns, up to ten in parallel
- 03
DFT and quantum chemistry
2 daysGeometry optimization, HOMO–LUMO and MEP for one molecule
- 04
Bioinformatics
3–5 daysDepending on the size of the data set
- 05
Network pharmacology
3 daysTargets, enrichment analysis and Cytoscape figures
- 06
Immunoinformatics
5 daysEpitope prediction through to a vaccine construct
- 07
AI and cheminformatics
5–7 daysDescriptors, QSAR and a validated predictive model
- 08
Training and consulting
On scheduleWorkshops and guidance arranged around your dates
- STEP 1
Send your brief
Your structures or sequences, the question you want answered and your deadline.
- STEP 2
Agree the scope
We confirm the method and deliverables, then send a quote and a timeline.
- STEP 3
We run the study
Up to ten simulations run in parallel, so results arrive sooner.
- STEP 4
Receive your results
Data, figures and a written report, with answers to your questions.
Trajectories and topologies, graphs as images and xmgrace files, structure snapshots at chosen time points, a trajectory movie and a written report.
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Reviewer revisions
A reviewer asked for more analysis?
Send us the reviewer comments and your structures. We run exactly what was asked for, whether a molecular dynamics simulation, MM-PBSA binding energies, DFT or redocking, and write up the methods and results for your response letter.
- 2 days docking or DFT
- 3 days a 100 ns simulation