Group Leader
She works on the computational exploration of enzyme catalysis. Her research interests also include the computational study of carbon-based materials such as fullerenes, endohedral metallofullerenes, carbon nanotubes and graphene through Quantum Mechanics and Molecular Dynamics simulations (see the complete publication list).
Dr. Dhani Ram Mahato
HFSP postdoctoral researcher
He works on the exploration of the conformational landscapes of allosterically-regulated enzymes by means of extensive Molecular Dynamics simulations and enhanced sampling techniques.
Dr. Eila Serrano
Collaborator
Eila works at IDIBGI on the computational design of onco-metabolite enzymes.
Mr. Christian Curado
PhD student (ERC-StG)
Christian works on the computational exploration of MAO-N enzyme and variants using molecular dynamics simulations.
Mr. Miquel Estévez
PhD student (ERC-StG)
Miquel works on the computational investigation of halohydrin dehalogenases using Molecular Dynamics simulations.
Ms. Carla Calvó
PhD student (ERC-StG)
Carla is working on the development of correlation-based tools for distal mutation prediction and their application in enzyme design.
Mr. Guillem Casadevall
PhD student (ERC-StG)
Guillem works on the application of dimensionality reduction techniques for elucidating enzyme catalytic activity and promiscuity.
Mr. Jordi Soler Parpal
PhD student (FPU fellowship)
Jordi works on the computational exploration and design of new P450 systems.
Ms. Cristina Duran Rebenaque
PhD student (FPI fellowship)
Cristina works on the computational exploration and design of new tryptophan synthase variants with stand-alone activity.
Ms. Hiva Doustmohammadi
PhD student (ERC-StG and HFSP)
Hiva works on the computational exploration and design of new kemp eliminases.
Ms. Janet Sánchez
Master student
Janet works on the computational design of new kinases for biomedical purpouses
Previous group members:
Dr. Sergi Ruiz-Barragán
Postdoc María Zambrano at UPC
Sergi has worked on the computational exploration of several synthases enzymes using Molecular Dynamics simulations and enhances sampling techniques.
Dr. Juan Pablo Martínez
PhD defense: November 2016
Juan Pablo has worked on the computational exploration of fullerene and carbon nanotube reactivity. His PhD has been supervised by: Prof. Miquel Solà, Dr. Albert Poater, Dr. S. Osuna all at UdG, and Prof. F. M. Bichelhaupt at VUA.
Dr. Ferran Planas
PhD student at Fami Himo’s Lab
Ferran studied a scavenger decapping enzyme that hydrolizes the protective 5′ cap structure on short mRNA fragments. This study was done in collaboration with Dr. Ramon Crehuet (CSIC Barcelona) and Dr. Remco Sprangers (Regensburg Univ., Germany).
IQCC Ramón y Cajal Researcher
Ferran works on the application of accelerated Molecular Dynamics in assembly and recognition processes.
Dr. Adrià Romero
PhD defense: December 2018
Postdoctoral researcher at Kamerlin Lab
Adrià did the PhD with Prof. Swart and me (FI fellowship 2015-2019) and he worked on the computational study of (bio)inorganic reaction mechanisms, and the evaluation of DE-generated aldolases. He also explored the reaction mechanism of the copper-based enzyme quercetinase.
Dr. Miguel Ángel Maria Solano
PhD defense: March 2021
Postdoctoral researcher at Ewha Womans University (Seoul)
Miguel Ángel did the PhD on the computational investigation of tryptophan synthases, and alcohol dehydrogenases (together with Adrià) using Molecular Dynamics simulations.
Dr. Lorenzo D’Amore
PhD defense: December 2021
Working at Janssen (Toledo site)
Lorenzo did the PhD on the computational investigation of P450s using Molecular Dynamics simulations.
Dr. Marc Garcia -Borràs
IQCC Ramón y Cajal Researcher
Marc works on the computational exploration of biocatalytic intermediates for the discovery and design of new enzymatic activities.
Sílvia Osuna webpage 