Prof. Dr. Jean-Didier Maréchal

Team leader (2009)

Field of research
Molecular Modeling applied to Biotechnology.

Background
Physical Chemistry and Structural Bioinformatics

Prof. Dr. Agustí Lledós

Group Leader since 1990

Field of research
Computational modeling of organometallic reactivity and homogeneous catalysis.

Background
Chemistry

Dr. Giuseppe Sciortino

Associate Professor (2024)

Field of research
Spectroscopy-integrated computational modeling of metallodrugs & metalloenzymes. Organometallic reactivity and homogeneous catalysis.

Background
Chemistry

Dr. José Emilio Sánchez

PhD Student (2017-2022)

Field of research
Computational exploration of the chemical space in biomolecular systems.

Background
Informatics

Iker Zapirain Gysling

PhD Student (2019-)

Field of research
Supra-Bio-Catalysis and design of Artificial Metalloenzymes.

Background
Biochemistry

Xavier Fernández-Luengo Flores

PhD Student (2019-)

Field of research
Design of Artificial Metalloenzymes.

Background
Double degree in Physics and Chemistry

Laura Martínez-Castro

PhD Student (2021-)

Field of research
Molecular modeling of metalopeptides with QM/MM methods.

Background
Chemistry

Mercè Alemany Chavarria

PhD Student (2022-)

Field of research
Supra-Bio-Catalysis and design of Artificial Metalloenzymes.

Background
Biochemistry

Derik Rochlitzer Puig

Undergrad Student

Field of research
Development of software for molecular docking

Background
Double degree in Physics and Chemistry

Ana Sánchez Ferrón

Undergrad Student

Field of research
Molecular modelling of metallopeotides with QM/MM

Background
Double degree in Physics and Chemistry

Federico Pisanu

PhD Student (Università degli Studi di Sassari)

Field of research
Protein and DNA interaction with potential metallodrugs.

Background
Chemistry

Gabriella Tito

PhD Student (Università degli Studi di Napoli Federico II)

Field of research
Protein and DNA interacion with metal compounds

Background
Chemistry

Matteo Zaltieri

Master Student

Field of research
Engineering of artificial metalloenzymes.

Background
Chemistry

Lluís Moreno Balagué

Master Student

Field of research
Characterization of metal diffusion pathways in metalloproteins.

Background
Bioengineering

Lorena Roldán Martín

PhD Student (2019-2024)

Field of research
Molecular modeling of metalopeptides with QM/MM methods.

Background
Biomedical Sciences

Laura Tiessler Sala

PhD Student (2019-2023)

Field of research
MM and QM techniques applied to modeling metaloenzymes.

Background
Biochemistry

Raúl Fernández Díaz

PhD Student (2022)

Field of research
Application of Machine Learning to Biochemistry.

Background
BSc in Biotechnology, MSc in Bioinformatics

Dr. Gantulga Norjmaa

PhD Student (2017-2022)

Field of research
Molecular modeling of transition metal systems with QM/MM methods.

Background
Chemistry

Lorea Velasco Carneros

PhD Visitor (2018-2020)

Field of research
Regulation of the human disaggregase system, which is key for the prevention of neurodegenerative diseases.

Background
Biochemistry and Molecular Biology

Dr. Mario García-Risco

PhD Visitor (2017-2019)

Field of research
Characterization of Cantareus aspersum metallothioneins and study of their interaction with hemocyanin functional units.

Background
Biotechnology

Nor El Houda Medigue

PhD Visitor (2019-2020)

Field of research
Molecular modeling of metal complexes with QM/MM methods.

Background
Chemistry

Bart Brouwer

Master Thesis (2019)

Field of research
Computer aided design of Artificial Metalloenzymes.

Background
Chemistry

Current working place
University of Gröningen

Dr. Lur Alonso

PhD Student (2015-2018)

Field of research
MM, QM and QM/MM applied to modeling of Cu catalysis and metaloenzymes.

Background
Biology

Current working place
University of Groningen

Dr. Jaime Rodríguez-Guerra

PhD Student (2015-2018)

Field of research
Development of a novel software platform for complex molecular design written in Python.

Background
Biotechnology

Current working place
Charité Universitätsmedizin Berlin

Dr. Karel de Pourcq

Master Thesis (2016)

Background
Biochemistry

Current working place
CRG

Dr. Victor Muñoz

PhD Student

Field of research
Computational Study of Artificial Metalloenzymes.

Background
Biotechnology

Dr. Elisabeth Ortega-Carrasco

PhD Student

Field of research
Prediction of the interactions of metalloligands with proteins.

Background
Chemistry

Current working place
Lead Molecular Design, S.L.

Daniel Dorce

Master Student (2019-2020)

Field of research
Molecular modeling of Vitamin B12 loaded activated carbon: from binding to catalysis the degradation of Chlordecone.

Israini Wiyulanda Iskandar

Master Student (2019-2020)

Field of research
In-Silico characterization of Natural Compounds With Molecular Modelling of Aromatase.

Fernando Davó Miralles

TFG (2020)

Field of research
Implementation of Smina scoring function into GaudiMM to perform docking simulations with metalloligands.