Don't miss the video of the reaction mechanism !

Using #compchem to fight #COVID19 The mechanism of the Pfizer Inc. SARS-CoV-2 Antiviral PF-00835231 unveiled by molecular simulations. Check out our @chemrxiv preprint: doi.org/10.26434/chemr… with Carlos Ramos and Javier Ruiz And don't miss our video below 👇👇👇

Thanks to BSC-CNS Servei d'Informàtica - UNIVERSITAT DE VALÈNCIA and @GVAinnova

The 3CL protease of SARS-CoV-2 is an attractive drug target. Iñaki Tuñón Carlos Ramos Javier Ruiz ran multiscale simulations to unveil the binding mode of cysteine protease Universitat València @FacQuimicaUVEG Servei d'Informàtica - UNIVERSITAT DE VALÈNCIA BSC-CNS Check it out! #ACSEditorsChoice pubs.acs.org/doi/10.1021/ac…

Our last ACS Catalysis paper now in the cover doi.org/10.1021/acscat… ACS for Authors #MyACSCover

Using #compchem to fight #COVID19 Mechanism of the oral Pfizer Inc. SARS-CoV-2 Antiviral PF-007321332 unveiled by molecular simulations Check out our @chemrxiv preprint: doi.org/10.33774/chemr… with Carlos Ramos and Javier Ruiz Thanks to BSC-CNS Servei d'Informàtica - UNIVERSITAT DE VALÈNCIA and @GVAinnova

Our last contribution to fight #COVID19 is now published in Chemical Communications Computational simulations on the binding and reactivity of a nitrile inhibitor of the SARS-CoV-2 main protease pubs.rsc.org/en/content/art…

A contribution with Carlos Ramos and Javier Ruiz Thanks to BSC-CNS @GVAinnova and Servei d'Informàtica - UNIVERSITAT DE VALÈNCIA

Our work about covalent inhibition of SARS-CoV-2 3CL protease with PF-00835231 is already online and open access in Angewandte Chemie doi.org/10.1002/anie.2… A work with Carlos Ramos and Javier Ruiz Thanks to @GVAinnova Ministerio de Ciencia, Innovación y Universidades BSC-CNS and Servei d'Informàtica - UNIVERSITAT DE VALÈNCIA

Inhibition Mechanism of SARS-CoV-2 Main Protease with Ketone-Based Inhibitors Unveiled by Multiscale Simulations: Insights for Improved Designs (Tunon) Iñaki Tuñón Carlos Ramos Javier Ruiz #openaccess onlinelibrary.wiley.com/doi/10.1002/an…

Excellent news about the novel #COVIDー19 oral antiviral of Pfizer Inc. known as #Paxlovid pfizer.com/news/press-rel… Preliminary results show 90% reduction of the risk of hospitalization or death.

This compound inhibits the main protease of #SARSCoV2 forming a covalent complex. In the image, in cyan, the recently reported x-ray structure of the complex (7VH8 from pdb.org) and in orange our computational prediction published in Chem. Commun. 2021,57, 9096.

Our computational study (with Carlos Ramos and Javier Ruiz ) can be found here: pubs.rsc.org/en/content/art… Thanks to @GVAinnova BSC-CNS and Servei d'Informàtica - UNIVERSITAT DE VALÈNCIA

Do you want to see #Paxlovid (from Pfizer Inc.) in action against SARS-CoV-2? Check this video! youtu.be/l9SqfskoFTc

#paperhighlights #Dec2021 Check out the recent article of Iñaki Tuñón Javier Ruiz Carlos Ramos in Angewandte Chemie about inhibition mechanism od #SARSCoV2. Congrats to the authors! 🔗sbe.es/paperhighlight…

Supercomputer Simulations Show How Paxlovid, Pfizer’s Covid Antiviral, Works - hpcwire.com/2022/02/03/sup…

A new contribution of the group to the study of SARS-CoV-2 3CL Protease. With Carlos Ramos Javier Ruiz and collaborators from Universidad de Talca published in JCTC Papers pubs.acs.org/doi/10.1021/ac…

That will do for the first tweet 😎 doi.org/10.26434/chemr…

The first tweet of my colleague Kirill Zinovjev is a very interesting contribution towards MLMM simulations

We will celebrate this best scientific paper award with a paella! Iñaki Tuñón Javier Ruiz Thanks BSC-CNS for the resources!