Insights into the Catalytic Activity of a Metagenome-Derived Urethanase The discovery of urethanases shows an opportunity to access the biotechnological recycling of polyurethane-based plastics (PURs), widely used in the manufacture of everyday materials. However, the mec...

The BioComp group, in collaboration with F. López-Gallego's team from @cicbiomagune.bsky.social, just published a research on Metagenome-Derived Urethanase in
@jacs.acspublications.org
📎 pubs.acs.org/doi/10.1021/...
@uji.es @inam-uji.bsky.social @ageinves.bsky.social
Generalitat Valenciana

Vicent @vicentemoliner.bsky.social) is delighted to take part in the #FEBS2025 Advanced Course “Computational Approaches to Understanding and Engineering Enzyme Catalysis”, hosted at @SciLifeLab and @karolinskainst in Stockholm.
👉 More: computationalenzymeengineering2025.febsevents.org

@vicentemoliner.bsky.social shared the latest research from the @BioComp_UJI
team at #MDMM2025 in Wrocław, Poland 🇵🇱!
👉 More about the conference: mdmm.pwr.edu.pl

The Uncatalyzed Reduction of Flavin Mononucleotide (FMN) by Nicotinamide Adenine Dinucleotide (NADH): A Reference Reaction for Catalysis by NAD(P)H-Dependent Flavoenzymes Flavin-dependent enzymes are widespread across all kingdoms of life and nicotinamide coenzymes are common flavoenzyme substrates, performing 2-electron (hydride) oxidation or reduction of the flavin c...

BioComp's contribution to the study on Uncatalyzed Reduction of Flavin Mononucleotide in collaboration with Sam Hay (@manchester.ac.uk) and @efmegroup.bsky.social has just been published in @ACSCatalysis
pubs.acs.org/doi/full/10....

Excited to share latest results from @Biocomp, in collaboration with the groups of Luca Salassa (@dipcehu.bsky.social) and Fernando López-Gallego @cicbiomagune.bsky.social)
chemrxiv.org/engage/chemr...

Results of our collaboration with Brazilian colleagues Munir Skaf (cces.unicamp.br) and Jeronimo Lameira (ufpa.br) through the stay of C Costa at our lab, is already available at
pubs.acs.org/doi/10.1021/...

@vicentemoliner.bsky.social visited Prof. Himo’s lab at Stockholm University, where he had the pleasure of giving a lecture and sharing scientific discussions.

@vicentemoliner.bsky.social visited the BMC at Uppsala University as the opponent in the PhD viva of Lucien Koenekoop, supervised by Prof. J. Åqvist and Prof. H. Gutiérrez-de-Terán. During his visit, he also had the pleasure of giving a lecture and engaging in scientific discussions.

Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism Molecular simulations have been instrumental in elucidating the SARS-CoV-2 lifecycle, thereby supporting the design and development of antiviral therapies and diagnostic tools for COVID-19. Here, the ...

Latest preprint from our group. Great collaboration with @vicentmoliner.bsky.social @kswiderek.bsky.social Maite Roca and Yazdan Maghsoud: Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism
| ChemRxiv

Our latest contribution on engineering the Tobacco Etch Virus protease in collaboration with Volter’s (Technical University of Munich), Alcalde’s (@CSIC) groups, and biotech partners @EvoEnzyme (@pcmmadrid.bsky.social) & @numaferm (Germany) just published in @ACSSynBio
pubs.acs.org/doi/full/10....

@vicentemoliner.bsky.social presented our latest results on computer design of new enzymes at the “29th Workshop of Biomolecular Interaction Research Association (BIRA)” in Kyoto, Japan, organized by Prof. Masayuki Oda.

Great moments for the BioComp group at the Bienal RSEQ2025 (‪@rseq-quimica.bsky.social‬) held at Bilbao, Spain.
Congratulations to Adrian Fernández for his excellent talk and to Carmen Ramos for winning the Best Poster Award. Alongside Maite Roca, they presented some of our latest research results

Thanks to the organizers for the invitation: Francesco Colizzi (
@molecularocean.bsky.social ) Paula Blazquez-Sanchez and Giovanni Busi. It was fantastic!

Vicent (@vicentmoliner.bsky.social ) presented the latest research from the BioComp group at the
CECAM workshop "Computations meet Experiments to Advance the Enzymatic Depolymerization of Plastics One Atom at a Time" held last week at the CECAM-IT-SISSA-SNS node in Trieste, Italy.

A pleasure for @vicentmoliner.bsky.social and @inakitunon.bsky.social to participate in the "Computational Biochemistry" course, of "European master of theoretical and computational chemistry" organized in the ZCAM, sponsored by the Centre Européen de Calcul Atomique et Moleculaire

Our perspective “A Reflection on the Use of Molecular Simulation to Respond to SARS-CoV2 Pandemic Threats”, in collaboration with the groups of
@rommieamaro.bsky.social @adrianmulholla1.bsky.social Alessio Lodola and Carlos Simmerling just available as open access pubs.acs.org/doi/10.1021/...