Agenda

2020

  • November 17   

Girona, Spain

Science Week: A day doing research at the University of Girona

La química de la biologia: l’evolució dirigida d’enzims al laboratori vista a través d’un ordinador” / “The chemistry of Biology: Directed evolution of enzymes in the lab, from a computational perspective” (Outreach Talk)

  • May 4 – 7   Postponed due to Covid-19

Girona, Spain

Girona Seminar 2020

Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities” (Oral Contribution)

2019

  • December 2

Stuttgart, Germany

Department of Technical Biochemistry, University of Stuttgart

Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities” (Invited seminar)

  • November 28 -29

Benicassim, Valencia, Spain

TrEnCa: Trends in Enzyme Catalysis, Merging Theory and Experiment

Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities” (Invited Oral Communication)

  • November 5 -23

Manchester, UK

Research visit to the Prof. Sabine Flitsch Lab at the Manchester Institute of Biotechnology

Computational characterization of enzymatic reactive intermediates” (Invited seminar)

  • July 18

Barcelona, Catalonia, Spain

XXXV Annual Meeting of the Reference Network in Theoretical and Computational Chemistry

Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities” (Invited Oral Communication)

  • May 26 – 30

Donosti, Euskadi, Spain

XXXVII Reunión Bienal de la RSEQ

Conformational heterogeneity for novel enzyme function: The challenge of distal mutations” (Invited Oral Communication)

  • April 3 – 5

Madrid, Spain

6th European Chemical Biology Symposium and the meeting of the EuChemS Division “Chemistry in Life Sciences” (LS-EuChemS)

Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities” (Oral Contribution)

2018

  • July 22 – 27

Newport, RI, USA

Gordon Research Conference: Stereochemistry

The Many Dimensions of Stereochemistry: Catalysis, Chemical Biology, Macromolecules, and Synthesis

Computational exploration and design of new enzymatic activities” (Poster Presentation)

2017

  • April 2 – 6

San Francisco, USA

253rd ACS National Meeting, Spring 2017

Computational tools for the evaluation of laboratory-engineered biocatalysts” (Oral Contribution)

Origins of the catalytic proficiency of cytochrome-based artificial metalloenzymes” (Oral Contribution)

2016

  • September 25 – 30

Trujillo, Perú

Current Topics in Theoretical Chemistry 2016 (CTTC 2016)

Computational tools for the evaluation of laboratory-engineered biocatalysts” (Invited Lecture)

  • May 29 – June 3

San Diego, USA

229th The Electrochemical Society (ECS) meeting

The Regioselectivity of Bingel-Hirsch Cycloadditions on IPR Endohedral Metallofullerenes” (Invited Lecture)

  • April, 25

Girona, Catalonia (Spain)

Invited Workshop, Institut de Química Computacional i Catàlisi (IQCC), Universitat de Girona

QM/MM Calculations with ChemShell” (Workshop, hands-on session)

  • April, 22

Logroño, La Rioja (Spain)

Symposium on Computational Chemical Biology, honoring Prof. Ken Houk, Universidad de La Rioja

Conferring natural enzymes new synthetically useful functionalities” (Invited Talk)

  • April, 17 – 20

Girona, Catalonia (Spain)

Girona Seminar 2016. Predictive Catalysis: Transition-Metal Reactivity by design, Girona Seminar 2016

Computational exploration of electron transfer efficiency in redox-dependent metalloenzymes” (Poster Presentation)

2015

  • December, 15 – 20

Honolulu, Hawai (USA)

The International Chemical Congress of Pacific Basin Societies, Pacifichem

On the existence and characterization of molecular electrides” (Oral Contribution)

Enantiospecific Formation of Fulleropyrrolidines” (Poster Presentation)

  • September 10 – November 10 (2 months)

Max-Planck-Institut für Kohlenforschung, Mülheim, Germany

Research stay at the Thiel’s Lab

  • July, 5 – 10

Madrid, Spain

ISNA 16 – 2015 Madrid (International Symposium on Novel Aromatic Compounds)

“Aromaticity-based rules for predicting and understanding Bingel-Hirsch Derivatization of Endohedral Metallofullerenes” (Poster Presentation)

“Computational Investigation of Enantiospecific Formation of Fulleropyrrolidines” (Poster Presentation)

  • June 29 – July 1

París, France

CECAM Workshop on “Modeling activity vs. selectivity in metalloproteins” 

Converting an esterase into an epoxide hydrolase” (Poster Presentation)

  • June, 25 – 26

Girona, Catalonia, Spain

XXXI Annual Meeting of Reference Network on Theoretical and Computational Chemistry (XRQTC)

2014

  • September 15 – December 15 (3 months)

University of California Los Angeles (UCLA), Los Angeles, USA

Research stay at the Houk’s Lab

  • August 31 – September 4

Istanbul, Turkey

5th EuCheMS Chemistry Congress (European Association for Chemical and Molecular Sciences)

The Key Role of Aromaticity in Determining the Molecular Structure and Reactivity of (Endohedral Metallo)Fullerenes” (Contributed Lecture: European Young Chemist Award EYCA2014 finalists session)

  • June 30 – July 3

Girona, Spain

XI GironaSeminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications

Computational Investigation of 1,3-dipolar Adducts Isomerization of (Endohedral Metallo)Fullerenes” (Contributed Lecture)

  • June, 2-6

Barcelona, Spain

AMBER Workshop 2014

Organized by the Institut de Recerca Biomèdica (IRB) and Barcelona Supercomputing Centre (BSC).

Training Course

  • May, 11-16

Orlando, USA

225th The Electrochemical Society (ECS) meeting

Maximum Aromaticity As a Guiding Principle for the Most Suitable Hosting Cages in Endohedral Metallofullerenes” (Contributed Lecture)

A Complete Guide on the Influence of Metal Clusters in the Diels-Alder Regioselectivity of Ih-C80 Endohedral Metallofullerenes” (Contributed Lecture)

  • May, 5-8

University of Girona, Girona, Spain

Computational biochemistry laboratory: understanding biochemical processes from advanced molecular modeling

Training Course

  • March 31 – April 15 (2 weeks)

University of California Los Angeles (UCLA), Los Angeles, USA

Research visit at the Houk’s Lab

  • February, 13

Madrid, Spain

Seminar at IMDEA (Instituto Madrileño de Estudios Avanzados), research visit to the group of Prof. Nazario Martin.

Computational insights into the chemical reactivity of Endohedral Metallofullerenes” (Invited Seminar)

2013

  • November, 27-29 

Andorra La Vella, Andorra

Vuitena Trobada de Joves Investigadors dels Països CatalansSocietat Catalana de Química.

Ful·lerens Endoèdrics: Estructura, Reactivitat i el rol de l’Aromaticitat.” / “Endohedral Fullerenes: Structure, Reactivity and the role of the Aromaticity.” (Contributed Lecture)

  • September, 9-13

Durham, UK

15th International Conference on Density Functional Theory and its Applications (DFT-13)

Guidelines for the Influence of Metal Clusters on the Diels-Alder Regioselectivity of Ih-C80 Endohedral Metallofullerenes” (Poster Presentation)

  • June, 26-28

París, France

Workshop on “Topological approaches to intermolecular interactions”

Intermolecular Dispersion Interaction Effects on the Diels-Alder Endohedral Metallofullerene Monoadduct stabilities. The Cp/Cp*-La@C2v-C82 example.” (Contributed Lecture)

  • May, 20-23

Athens, Greece

Arcade Project Final Meeting, Institute of Biology, Medicina Chemistry and Biotechnology. National Hellenic Research Foundation

Maximum Aromaticity as the Driving Force that Determines the Structure and Reactivity of the Endohedral Metallofullerenes” (Invited Lecture)

2012

  • August, 26-30

Prague, Czech Republic

4th Congress of the European Association for Chemical and Molecular Sciences (EuCheMS) 

The Frozen Cage Model: a computationally low-cost tool for predicting the exohedral regioselectivity of cycloaddition reactions involving endohedral metallofullerenes” (Contributed Lecture)

Electrochemical control of the regioselectivity in the exohedral functionalization of C60. The role of the aromaticity.” (Poster Presentation)

….