The need to implement FAIR principles in biomolecular simulations

In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories The need to implement FAIR principles in biomolecular simulations

Prof. Miquel Solà receives the 2025 RSEQ Medal

This week the Real Sociedad Española de Química (RSEQ) announced that Prof. Miquel Solà, full professor at the Institut de Química Computacional Prof. Miquel Solà receives the 2025 RSEQ Medal

IQCC-UdG and Chemotargets join forces to give a second life to forgotten molecules in the laboratory

The aim of the agreement is to analyze the molecules synthesized by IQCC researchers over the past three IQCC-UdG and Chemotargets join forces to give a second life to forgotten molecules in the laboratory

Neutral All-Metal sigma-Aromaticity in a Rhombic Cluster

Aromaticity is a cornerstone concept in chemistry, playing a crucial role in understanding molecular stability and reactivity. Traditionally, Neutral All-Metal sigma-Aromaticity in a Rhombic Cluster

Ciència en Equip 2025 at IQCC

Every year in April since 2014 is organizing the Ciència en equip. It is a science fair mainly led by secondary school Ciència en Equip 2025 at IQCC

Structure and mechanism of haem-dependent nitrogen–nitrogen bond formation in piperazate synthase

Molecules with nitrogen–nitrogen (N–N) bonds include diverse specialized metabolites from nature, but little is known about the underlying Structure and mechanism of haem-dependent nitrogen–nitrogen bond formation in piperazate synthase

PhD defense Gibu George

On 25th of April will be the defense of the doctoral thesis of Gibu George, titled “Computational study and PhD defense Gibu George

Cover ChemCatChem on Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations

The ChemCatChem journal features on its front cover of the March 2025 issue the research article “Unveiling the Cover ChemCatChem on Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations

PhD defense Alejandro Iglesias Reguant

Next Monday will be the defense of the doctoral thesis of Alejandro Iglesias Reguant, titled “Intermolecular interactions between fluorophores carrying PhD defense Alejandro Iglesias Reguant

MSCA Doctoral Network (COMENZE)

The project COMENZE: Computational and Experimental Enzyme Engineering for New Polymers, within the HORIZON-MSCA-2023-DN-101169327 call, aims to develop next-generation MSCA Doctoral Network (COMENZE)