Teléfono de contacto +34 981 56 98 10
15702 Avenida de Vigo s/n Santiago de Compostela, A Coruña
www.cesga.gal
15702 Avenida de Vigo s/n Santiago de Compostela, A Coruña
www.cesga.gal
I am a computational chemist specializing in atomistic molecular dynamics (MD) simulations of biomolecular systems, with a focus on applications in drug discovery.
Research Focus and Interests:
- – Molecular dynamics (MD) simulations of biomolecular systems, including protein–ligand interactions.
- – Force field development: preparing force fields for complex systems, such as metalloproteins, metalloenzymes, metal–organic compounds, and advanced nanomaterials.
- – Protein modeling and structural analysis for computational studies.
- – Designing computational pipelines and workflows to automate high-throughput MD simulations.
