IQCC Council approves Dr. Marc Garcia-Borràs as a new Principal Investigator

Last Friday November 23rd at the IQCC Council meeting we approved the recognition of Dr. Marc Garcia-Borràs as as Principal Investigator of the institute. Marc and his team will be leading the following research line: “Biocatalytic intermediates for the discovery and design of new enzymatic activities”. In the coming days this new situation will be reflected on the IQCC … Continue reading IQCC Council approves Dr. Marc Garcia-Borràs as a new Principal Investigator

Marc Garcia-Borràs, finalist at the European Young Chemists’ Awards (EYCA) 2020 – Early Career Researcher level

The European Award Committee for the EuChemS-EYCN Award (EYCAC) has selected Marc Garcia-Borràs as one of the 6 finalist of the European Young Chemists’ Award (EYCA) for the Early Career Researcher level.  The EYCA Competition will be held online on 26 August 2020, in the framework of the e-YCN@ECC event. This will be a two-day event with … Continue reading Marc Garcia-Borràs, finalist at the European Young Chemists’ Awards (EYCA) 2020 – Early Career Researcher level

In vivo selection for formate dehydrogenases with high efficiency and specificity towards NADP+

The development and application of a novel in vivo selection method enabled the testing of more than >106 variants of formate dehydrogenase (FDH) to switch its cofactor specificity in one single round of protein directed evolution, using multiple mutational sites selected based on previous studies and initial computational modeling. Due to this new approach, key … Continue reading In vivo selection for formate dehydrogenases with high efficiency and specificity towards NADP+

Carla Calvó-Tusell wins poster prize at BioExcel Summer School

Last week (July 22-26), it took place the Remote BioExcel Summer School on Biomolecular Simulations, in virtual manner, which included a poster session. Carla Calvó, PhD student under the supervision of Dr. Marc Garcia-Borràs and Prof. Sílvia Osuna, presented a poster titled “Unraveling The Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase (IGPS)”, and won the first prize, … Continue reading Carla Calvó-Tusell wins poster prize at BioExcel Summer School

Computational time awarded by Red Española de Supercomputación, Barcelona Supercomputing Center (Minotauro-BSC computer) 2020 – 2

Our project QSB-2020-2-0016 entitled “Computational characterization of reactive intermediates for the discovery and design of new biocatalytic activities” has been awarded with 81.38Kh of priority computational time in the GPU-based Minotauro-BSC supercomputer. Thanks to the computational resources from the Barcelona Supercomputing Center  (BSC) we will be able to continue with our research program related to the … Continue reading Computational time awarded by Red Española de Supercomputación, Barcelona Supercomputing Center (Minotauro-BSC computer) 2020 – 2

New Beatriu de Pinós project starts

On February 1st, Dr. Marc Garcia-Borràs started his new Beatriu de Pinós project (MSCA COFUND) entitled “Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities”. This 3-year project will allow Dr. Garcia-Borràs to work as an independent researcher at the Institute of Computational Chemistry and Catalysis (IQCC) and the … Continue reading New Beatriu de Pinós project starts

Research visit to the Manchester Institute of Biotechnology (MIB)

During November 2019, Marc has spent 3 weeks visiting the lab of Prof. Sabine Flitsch at the Manchester Institute of Biotechnology (MIB), University of Manchester. There, he has been carrying out experimental work in the framework of our ongoing collaboration about the engineering of P450s for the regioselective oxidation of fatty acids. Specifically, PCR reactions, … Continue reading Research visit to the Manchester Institute of Biotechnology (MIB)

Computational time awarded by Red Española de Supercomputación, Barcelona Supercomputing Center (Minotauro-BSC computer)

Our project QSB-2019-3-0009 entitled "Computational characterization of reactive intermediates for the discovery and design of new biocatalytic activities" has been awarded with 65Kh of computational time in the GPU-based Minotauro-BSC supercomputer. These computational resources from the Barcelona Supercomputing Center will allow us push forward our research program related to the computational characterization of reactive intermediates involved … Continue reading Computational time awarded by Red Española de Supercomputación, Barcelona Supercomputing Center (Minotauro-BSC computer)

New GPUs have arrived!

Thanks to the Juan de la Cierva – Incorporación (IJCI-2017-33411) accompanying budged we have recently purchased two brand new NVIDIA RTX 2080 Ti GPUs to perform molecular dynamics (MD) simulations using Amber software. They are already "burning" and shaking enzymes in the lab!