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
On 25th of April will be the defense of the doctoral thesis of Gibu George, titled “Computational study and PhD defense Gibu George
On 24th of April will be the defense of the doctoral thesis of Michele Tomasini, titled “DFT calculation towards PhD defense Michele Tomasini
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
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
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)
This week the BIOTRANS announced that Prof. Sílvia Osuna, ICREA researcher at the Institut de Química Computacional i Catàlisi (IQCC) of Sílvia Osuna recives BIOTRANS 2025 Junior Award
Since 2023 every two months, the IQCC is organizing some sessions of IQCC networking. This activity is trying to promote networking between IQCC Day 2025
8th of March is International Women’s Day. The IQCC has currently a rather favourable balance in gender ratio 2025, International Women’s Day – Women’s IQCC Forum
Repurposing of existing drugs for new indications has attracted substantial attention owing to its potential to accelerate drug Computational drug repurposing: approaches, evaluation of in silico resources and case studies