vicentmoliner.bsky.social
@vicentmoliner.bsky.social
Reposted
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
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...
pubs.acs.org
November 6, 2025 at 1:06 PM
Reposted
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
October 1, 2025 at 7:27 AM
Reposted
@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
September 16, 2025 at 3:09 PM
Reposted
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....
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...
pubs.acs.org
September 16, 2025 at 3:53 PM
Reposted
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...
September 16, 2025 at 3:59 PM
Reposted
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/...
September 16, 2025 at 4:02 PM
Reposted
@vicentemoliner.bsky.social visited Prof. Himo’s lab at Stockholm University, where he had the pleasure of giving a lecture and sharing scientific discussions.
September 16, 2025 at 4:07 PM
Reposted
@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.
September 16, 2025 at 4:09 PM
Reposted
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
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 ...
doi.org
September 3, 2025 at 1:37 PM
Reposted
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....
September 16, 2025 at 4:11 PM
Reposted
@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.
July 2, 2025 at 12:34 PM
Reposted
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
July 2, 2025 at 1:09 PM
Reposted
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.
May 12, 2025 at 4:11 PM
Reposted
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
April 10, 2025 at 1:41 PM
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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/...
March 25, 2025 at 5:18 PM