Welcome to BCB the new computational biophysics division of the Donostia International Physics Center.
We are a multidisciplinary group made up of: physicists, chemists, biochemists and mathematicians who have recently come together to address biophysics problems. Our mission is to offer complementary computational support to any laboratory or industry in the BIO world that wishes to integrate in-silico techniques into experiments.
- Machine Learning methods:
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In-silico Drug Repurposing
- ML based models to predict molecular activity.
- Massive database searches and classification.
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Mutation Pathogenicity Prediction
- Ion Channels server.
- ML applied to clinical practice problems.
- Energetic Analyses:
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Docking of Molecules
- Doking analisys of drugs and targets: Maestro, Autodock Vina
- Binding pockets search within ligands: Alphafold, MD …
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Stability of Mutations
- Rosetta: \(\Delta\Delta G\) calculations
- Protein Folding:
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All Atom Molecular Dynamics
- GROMACS, NAMD simulations
- Replica-Exchange techniques
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Coarse Grain and Go-models
- Free Energy calculations.
- SMOG
- Data treatment - Bioinformatics
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Python scripting
- Lab data treatment and statistics.
- Python scripting.
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Contact Us
Would you like to complement your experiments with simulations and need some help?
Do you have data that needs postprocessing?
Write us: contact@bcb.eus