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  • BioVirtual

    4-dimensional computational analysis of molecular interactions between biological entities (proteins, antibodies, nucleic acids and lipids) and small ligands (inhibitors, substrates, cofactors) with atomic and temporal resolution. Based on solid physical principles and incorporate environmental effects (solvents, ionic strength, temperature), we deliver high-quality graphs and attractive pictures/videos illustrating these interactions. Our computer simulations provide detailed insights on biomolecular recognition and activity events.

      EKIPO ETA OSAGAI GARRANTZITSUENAK

    • Computational Chemistry Laboratory

    AKTIBOAK ESKAINTZEN DITUEN ZERBITZUAK

    Bioinformatics and machine learning-based analysis of large databases of protein sequences

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    Calculation of high-quality binding energies for hit-to-lead optimization

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    Design of chemical reactions and linkers for protein and antibody conjugation

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    High-throughput virtual screening for hit identification in drug discovery

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    Modeling of unknow (glyco)protein and glycans and interactions between them

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available

    Molecular dynamics simulations of biological entities in water and/or cellular membranes.

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    Protein engineering virtual optimization with emphasis in enzymatic catalysis and thermostability.

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    Refinement of crystallographic and cryo-EM structures

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available

    Refinement of crystallographic and cryo-EM structures

    Crucial for understanding biological phenomena and designing new molecules, processes and therapies. Our high-resolution virtualization tool provides rigorous descriptions and powerful images for the valorization. The only way to interpret biological phenomena, particularly when experimental structural information is not available.

    AKTIBOA KUDEATZEN DUEN ERAKUNDEA

    ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS - CIC bioGUNE
    Harremanetarako pertsona:
    Donatello Castellana