TEAM

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Most recent CompBioLab group picture (December 2017):

Compbiolab_17

From left to right: Guillem Casadevall, Ferran Feixas, Javi Iglesias, Miquel estévez, Lorenzo d’Amore, Leila Pujals, Carla Calvó, Miguel Ángel Maria-Solano, Adrià Romero, Eila Serrano, Sílvia Osuna, Christian Curado.

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Dr. Sílvia Osuna Oliveras

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).

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Dr. Marc Garcia-Borràs

Leader of Catalysis CompBioLab Team: Postdoc (now at UCLA at Prof. K. N. Houk lab)

He works on the computational study of fullerene and related carbon-based systems (thesis project). Apart from that, Marc works on the computational investigation of esterases and epoxide hydrolases with Sílvia.lines

Javier_Iglesias-1Dr. Javier Iglesias-Fernández

Leader of Markov State Models CompBioLab Team: Marie Curie postdoctoral fellow (EnzVolNet project)

Javi works on the computational exploration of LovD and Tryptophan Synthase (TrpS) enzymes using Molecular Dynamics simulations and Markov State Models.

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FerranFeixas_tallatDr. Ferran Feixas

Leader of Assembly/Recognition CompBioLab Team: Hired thanks to ERC-StG project

Ferran works on the application of accelerated Molecular Dynamics in enzyme design.

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adriaMr. Adrià Romero

FI PhD student 

He works on the computational study of (bio)inorganic reaction mechanisms, and the evaluation of DE-generated aldolases with Sílvia. He is also exploring the reaction mechanism of the copper-based enzyme quercetinase.

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Ms. Eila Serrano

FI PhD student 

Eila works on the computational investigation of esterases and epoxide hydrolases using Molecular Dynamics simulations with Marc and Sílvia.lines

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Mr. Miguel Ángel Maria Solano

FPI PhD student 

Miguel Ángel works on the computational investigation of tryptophan synthases, and alcohol dehydrogenases (together with Adrià) using Molecular Dynamics simulations.lines

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Mr. Lorenzo d’Amore

UdG PhD student 

Lorenzo works on the computational investigation of P450s (together with Marc) using Molecular Dynamics simulations.lines

christianMr. Christian Curado

PhD student (ERC-StG)

Christian works on the computational exploration of MAO-N enzyme and variants using molecular dynamics simulations.

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Mr. Miquel Estévez

PhD student (ERC-StG)

Miquel works on the computational investigation of halohydrin dehalogenases using Molecular Dynamics simulations.

 

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Ms. Carla Clavó

Tech transfer Contract

Carla is working on a recent collaboration established with the company BIOMAR.

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Mr. Guillem Casadevall

Master student

Guillem works on the exploration of Epoxide Hydrolases selectivity and activity using Molecular Dynamics simulations and Markov State Models.

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Ms. Leila Pujals

Master student

Leila works on the computational investigation of halohydrin dehalogenases using Molecular Dynamics simulations.

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TFG students: Judit Torrent, and Cristina Duran are doing the final research project with us.

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Mr. 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.

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DSC_0663Mr. Ferran Planas

PhD student at Fami Himo’s Lab

Ferran studies a scavenger decapping enzyme that hydrolizes the protective 5′ cap structure on short mRNA fragments. This study is done in collaboration with Dr. Ramon Crehuet (CSIC Barcelona) and Dr. Remco Sprangers (Max Planck Tübingen, Germany).

 

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