Pablo Gainza Cirauqui

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Physical interactions between proteins are essential for most biological processes governing life. However, the molecular determinants of such interactions have been challenging to understand, even as genomic, proteomic and structural data increase. This k ...

The activation of the host adaptive immune system is crucial for eliminating viruses. However, influenza infection often suppresses the innate immune response that precedes adaptive immunity, and the adaptive immune responses are typically delayed. Dendrit ...

The optimization of therapeutic antibodies is time-intensive and resource-demanding, largely because of the low-throughput screening of full-length antibodies (approximately 1 x 10(3) variants) expressed in mammalian cells, which typically results in few o ...

Disclosed herein are peptide-grafted compounds that irreversibly deactivate bacteriophages or influenza virus depending on the peptide and remain safe for bacteria and mammalian cells. The active compounds comprise a core (cyclodextrin or gold nanoparticle ...

Molecular recognition events between proteins drive biological processes in living systems1. However, higher levels of mechanistic regulation have emerged, in which protein-protein interactions are conditioned to small molecules2, 3, 4-5. Despite recent ad ...

Protein-based therapeutics, such as monoclonal antibodies and cytokines, are important therapies for various pathophysiological conditions such as oncology, autoimmune disorders, and viral infections. However, the wide application of such protein therapeut ...

The present application relates to a computer-implemented systems and methods for protein interaction design using surface fingerprints. The method comprises predicting at least one target interface site with high binding propensity, wherein, optionally, t ...

The activity of CAR-T cells is reversibly halted with a small-molecule drug. Approaches to increase the activity of chimeric antigen receptor (CAR)-T cells against solid tumors may also increase the risk of toxicity and other side effects. To improve the s ...

The present invention concerns a computer-system-implemented method for predicting properties of a protein molecule, comprising the steps of: receiving an input representation of the protein molecule; applying a surface generator to produce a molecular sur ...

The invention relates to activation by inhibitor release (AIR) switches and chemically disruptable heterodimers (CDH), their use in controlling cell signaling components, and their use for treatments and therapies. ...

The invention relates to chemically disruptable molecule (CDM) switch, their use in controlling cell signaling components, and their use for treatments and therapies. Further disclosed are methods of treating and/or preventing a disease, such as e.g. a can ...

The invention relates to heterodimeric inactivatable chimeric antigen receptors (CARs) and their use for treatment. ...

Pablo Gainza Cirauqui

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De novo design of protein interactions with learned surface fingerprints

A Synthetic Multivalent Lipopeptide Derived from Pam3CSK4 with Irreversible Influenza Inhibition and Immuno-Stimulating Effects

Optimization of therapeutic antibodies by predicting antigen specificity from antibody sequence via deep learning

Virucidal compounds and use thereof

Targeting protein-ligand neosurfaces with a generalizable deep learning tool

Rational Design of Chemically Controlled Antibodies and Protein Therapeutics

Systems and methods for de novo design of protein interactions with learned surface fingerprints

A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy

A method and system for fast end-to-end learning on protein surfaces

Machine Learning in Protein Science De Novo Design of Site-Specific Protein Binders Using Surface Fingerprints

Novel chemically controlled cellular switches

OFF-switch CAR T cell for safety-enhanced cancer immunotherapy

Chemically disruptable molecule switch and use thereof

Computational design of bioactive protein switches with multi-logics for cell-based therapeutics

Decrypting interaction fingerprints in protein molecular surfaces

Heterodimeric inactivatable chimeric antigen receptors

De Novo Design of Site-specific Protein Binders Using Surface Fingerprints