Services¶

Energetic Analyses¶

Optimize drug discovery, antibody design and molecular interactions through our precise docking simulations. We help predict binding affinities and select the best candidates for your studies.

Docking of Molecules
- Doking analisys of drugs and targets: Maestro, Autodock Vina
- Binding pockets search within ligands
Antibody Design
- Antibody-protein interaction calculations.
- In-silico antibody design.

Machine Learning & Deep Learning methods¶

Leverage the power of artificial intelligence to analyze complex biological data. Our expertise in machine learning and deep learning can help you uncover hidden patterns and make data-driven decisions. LLM methods applied to proteins.

In-silico Drug Design
- ML based models to predict molecular activity.
- Massive database searches and classification.
Mutation Pathogenicity Prediction
- Ion Channels server.
- ML applied to clinical practice problems.

Protein Folding¶

Explore the dynamic behavior of molecular systems with our advanced simulations. We provide insights into molecular interactions, stability, and conformational changes.

All Atom Molecular Dynamics
- GROMACS, NAMD simulations
- Replica-Exchange techniques, FEP
Coarse Grain and Go-models
- Free Energy calculations.
- SMOG

Data treatment - Bioinformatics¶

Turn raw data into meaningful insights with our post-processing services. We offer comprehensive data analysis and visualization to help you interpret your results.

Python scripting
- Lab data treatment and statistics.
- Python scripting.
Python scripting
- Tanglegrams, Graphs …
- Custom Allen Brain Maps.

Contact Us¶

Would you like to complement your experiments with simulations and need some help? Do you have data that needs postprocessing?

If you have time to describe the nature of the problem you are facing, we will provide the computational approach you’re looking for. Write to us at contact@biocomputing.es and let’s talk.