@biocomp.bsky.social
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
@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
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
@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
👉 More: computationalenzymeengineering2025.febsevents.org
October 1, 2025 at 7:27 AM
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
👉 More: computationalenzymeengineering2025.febsevents.org
🧪Yesterday, Biocomp group participated in 🇪🇺 the European Night of Researchers and Investigators.
sciencegts.eu/en/inicio/
sciencegts.eu/en/inicio/
September 27, 2025 at 3:20 PM
🧪Yesterday, Biocomp group participated in 🇪🇺 the European Night of Researchers and Investigators.
sciencegts.eu/en/inicio/
sciencegts.eu/en/inicio/
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....
pubs.acs.org/doi/full/10....
September 16, 2025 at 4:11 PM
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....
pubs.acs.org/doi/full/10....
@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
@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.
@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
@vicentemoliner.bsky.social visited Prof. Himo’s lab at Stockholm University, where he had the pleasure of giving a lecture and sharing scientific discussions.
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/...
pubs.acs.org/doi/10.1021/...
September 16, 2025 at 4:02 PM
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/...
pubs.acs.org/doi/10.1021/...
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...
chemrxiv.org/engage/chemr...
September 16, 2025 at 3:59 PM
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...
chemrxiv.org/engage/chemr...
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
| 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
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
| ChemRxiv
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....
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
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....
pubs.acs.org/doi/full/10....
@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
team at #MDMM2025 in Wrocław, Poland 🇵🇱!
👉 More about the conference: mdmm.pwr.edu.pl
September 16, 2025 at 3:09 PM
@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
team at #MDMM2025 in Wrocław, Poland 🇵🇱!
👉 More about the conference: mdmm.pwr.edu.pl
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
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
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
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
@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
@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.
Congratulations to Lucia Peiró Sales and her supervisor, Katarzyna Świderek (@kswiderek.bsky.social), for receiving the award funded by La Cátedra Reciplasa-UJI for the Best Final Degree Project promoting environmental sustainability. castellonplaza.com/castellonpla...
La Cátedra Reciplasa impulsa la innovación en los premios a los mejores Trabajos de Fin de Grado y Máster
Los proyectos están relacionados con el estudio y síntesis de catalizadores que permiten transformar el dióxido de carbono (CO2) atmosférico en compuestos químicos de alto valor añadido
castellonplaza.com
June 13, 2025 at 8:05 AM
Congratulations to Lucia Peiró Sales and her supervisor, Katarzyna Świderek (@kswiderek.bsky.social), for receiving the award funded by La Cátedra Reciplasa-UJI for the Best Final Degree Project promoting environmental sustainability. castellonplaza.com/castellonpla...
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.
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
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.
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.
We are pleased to announce the launch of a new 2-year project within the BioComp group. Congratulations to Kasia
(@kswiderek.bsky.social) on receiving funding from
MICIU as part of the “Ayudas para Incentivar la Consolidación Investigadora” program. Looking forward to the great work ahead!
(@kswiderek.bsky.social) on receiving funding from
MICIU as part of the “Ayudas para Incentivar la Consolidación Investigadora” program. Looking forward to the great work ahead!
April 16, 2025 at 9:54 AM
We are pleased to announce the launch of a new 2-year project within the BioComp group. Congratulations to Kasia
(@kswiderek.bsky.social) on receiving funding from
MICIU as part of the “Ayudas para Incentivar la Consolidación Investigadora” program. Looking forward to the great work ahead!
(@kswiderek.bsky.social) on receiving funding from
MICIU as part of the “Ayudas para Incentivar la Consolidación Investigadora” program. Looking forward to the great work ahead!
Alvaro Serrano presented his master project results in the annual PhD student meeting of @inam-uji.bsky.social at @uji.es
April 13, 2025 at 2:35 PM
Alvaro Serrano presented his master project results in the annual PhD student meeting of @inam-uji.bsky.social at @uji.es
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
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
Kasia (@kswiderek.bsky.social) shared recent results of BioComp group at 6th Manchester Multiscale Conference ccpbiosim.ac.uk/multiscale2025
April 8, 2025 at 4:59 PM
Kasia (@kswiderek.bsky.social) shared recent results of BioComp group at 6th Manchester Multiscale Conference ccpbiosim.ac.uk/multiscale2025
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/...
@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
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/...
@rommieamaro.bsky.social @adrianmulholla1.bsky.social Alessio Lodola and Carlos Simmerling just available as open access pubs.acs.org/doi/10.1021/...
“Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age” published in
@WIREs_Reviews. A great job in collaboration with the group of Iñaki Tuñón (UV) and Prof. J. Bertran (UAB)
wires.onlinelibrary.wiley.com/doi/10.1002/...
@WIREs_Reviews. A great job in collaboration with the group of Iñaki Tuñón (UV) and Prof. J. Bertran (UAB)
wires.onlinelibrary.wiley.com/doi/10.1002/...
Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age
The study of natural enzyme catalytic processes at a molecular level can provide essential information for a rational design of new enzymes, to be applied in more efficient and environmentally friend...
wires.onlinelibrary.wiley.com
January 20, 2025 at 9:31 PM
“Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age” published in
@WIREs_Reviews. A great job in collaboration with the group of Iñaki Tuñón (UV) and Prof. J. Bertran (UAB)
wires.onlinelibrary.wiley.com/doi/10.1002/...
@WIREs_Reviews. A great job in collaboration with the group of Iñaki Tuñón (UV) and Prof. J. Bertran (UAB)
wires.onlinelibrary.wiley.com/doi/10.1002/...