Data analysis
Support in organising, processing, analysing and interpreting data.
Services
Data & analysis services
Support for organisations, researchers and professionals in designing studies, collecting, cleaning and analysing data.
Data cleaning
Identification and correction of inconsistencies, duplicates, missing values or errors in databases.
Survey design
Design of questionnaires adapted to the objectives of a study or survey.
Interview guides
Development of structured guides for qualitative interviews and field studies.
Data entry forms
Design of tools facilitating structured data collection and entry.
Methodological support
Assistance in study design, data collection and preparation of datasets for analysis.
Computational services
We run your simulations for you
You don't have the computing power, the installed software or the time? We take charge of your simulations and deliver the analysed results.
Docking on demand
You provide a target and a list of molecules: we prepare the files, run the docking and deliver the scores, poses and analysed interactions.
Library screening
Virtual screening of compound collections (ZINC, PubChem, in-house libraries), with ADMET filtering and prioritisation of hits.
Long molecular dynamics
Simulations from 100 ns to several microseconds, stability analysis, interactions over time and binding free energy calculation.
Structure modelling
Structure prediction with AlphaFold or homology modelling, model validation and preparation for your docking studies.
ADMET filtering
Assessment of absorption, distribution, metabolism, excretion and toxicity properties. Lipinski's rules, bioavailability prediction and elimination of problematic compounds before laboratory testing.
LaTeX scientific writing
Formatting of your articles, theses and reports with LaTeX: IMRaD structuring, booktabs tables, multi-panel figures, BibTeX bibliography and compliance with journal requirements.
Process
How a service engagement works
Scoping
You describe the biological question, the target and the molecules of interest. We assess feasibility and required computation time.
Quotation
We send you a quotation specifying the scope, the deadline and the expected deliverable.
Execution
File preparation, running the simulations, quality control and regular progress updates.
Delivery
Analysed results, figures, tables and a reproducible methodological report. Raw files are provided.
Ce que nous ne faisons pas.
Nous ne réalisons pas de tests expérimentaux en laboratoire (synthèse,
essais biologiques). Nos prestations couvrent uniquement la modélisation
et l'analyse computationnelle. Les résultats prédits doivent être validés
expérimentalement avant toute conclusion thérapeutique.
Molecular modelling
Drug Discovery services
Beyond training, we support research teams in their computer-aided drug discovery projects: from target preparation to results analysis.
Molecular docking
Receptor and ligand preparation, grid definition, AutoDock Vina docking, validation by redocking and RMSD calculation.
Virtual screening
Building and preparing compound libraries, automated screening, ADMET filtering and prioritisation of hits.
Molecular dynamics
Simulating complex stability, RMSD and RMSF analysis, interactions over time, binding free energy.
Interaction analysis
PLIP analysis, interaction fingerprints, pose clustering, consensus scoring and publication-quality figures.
Structure prediction
Obtaining and validating 3D structures with AlphaFold, ESMFold or homology modelling, preparation for docking.
Automated pipelines
Developing Python scripts to automate preparation, batch execution, analysis and report generation.
How we work
A structured approach
Framing
Clarifying objectives, research questions and expected deliverables.
Design
Building collection tools: questionnaires, interview guides, data entry forms.
Collection & cleaning
Gathering data and correcting inconsistencies, duplicates and missing values.
Analysis & reporting
Statistical analysis, interpretation and presentation of results.
A data project to discuss?
Describe your needs and we will get back to you with a proposal adapted to your context.