Computational Biology & Biophysics

Computational approaches to understand complex biological systems.

We combine molecular simulations, bioinformatics and machine learning to study biomolecular interactions and develop computational solutions for biotechnology and research.

Molecular Modeling & Simulation

Molecular dynamics, docking and numerical simulations to investigate biomolecular interactions and mechanisms.

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Data Science & Machine Learning

Statistical models and machine learning approaches for biological data analysis and prediction.

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Bioinformatics & Sequence Analysis

Computational analysis of biological sequences, evolutionary relationships and molecular features.

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Scientific Software Development

Custom platforms and interactive tools to transform complex analyses into accessible solutions.

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Scientific Software

Turning computational methods into scientific tools.

We develop custom web platforms and interactive tools that make advanced computational workflows accessible to researchers and biotechnology companies.

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Publications

Selected contributions

2025 · Bioinformatics Advances

Zepyros: a webserver to evaluate the shape complementarity of protein–protein interfaces

A web-based tool for measuring molecular surface complementarity at protein–protein interfaces using structural information and Zernike polynomial analysis.

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2022 · Communications Biology

Inferring the stabilization effects of SARS-CoV-2 variants on the binding with ACE2 receptor

Molecular dynamics simulations to characterize how spike protein mutations affect ACE2 binding stability, interface interactions and molecular properties.

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2022 · ACS Omega

Computational modeling of the thermodynamics of Trp-cage miniprotein mutants

Molecular dynamics simulations combined with statistical mechanical approaches to investigate folding–unfolding thermodynamics of protein mutants.

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