TEAM

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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. 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. lines

Sergi_RuizDr. Sergi Ruiz-Barragán

HFSP postdoctoral researcher

He works on the computational exploration of several synthases enzymes using Molecular Dynamics simulations and enhances sampling techniques.

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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. 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 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.

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Mr. Guillem Casadevall

PhD student (ERC-StG)

Guillem works on the application of dimensionality reduction techniques for elucidating enzyme catalytic activity and promiscuity.

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Jordi_Soler_2Mr. Jordi Soler Parpal

PhD student (FPU fellowship)

Jordi works on the computational exploration and design of new P450 systems.

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Cristina_Duran_2Ms. Cristina Duran Rebenaque

PhD student (FPI fellowship)

Cristina works on the computational exploration and design of new tryptophan synthase variants with stand-alone activity.

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Akram_DoustmohammadiMs. Hiva Doustmohammadi

PhD student (ERC-StG and HFSP)

Hiva works on the computational exploration and design of new kemp eliminases.

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TFG students: Janet Sanchez is doing the final research project with us.

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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.

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Mr. 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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Dr. Ferran Feixas

IQCC PI Ramón y Cajal Researcher

Ferran works on the application of accelerated Molecular Dynamics in assembly and recognition processes.

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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.

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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.

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Dr. Marc Garcia -Borràs

IQCC PI Ramón y Cajal Researcher

Marc works on the computational exploration of biocatalytic intermediates for the discovery and design of new enzymatic activities.

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