Javier Ruiz

Associate Professor of Physical Chemistry Department. University of Valencia.

[Carlos Ramos @CarlosRTNT]

We will celebrate this best scientific paper award with a paella! @InakiTunon @JavierR55880955 Thanks @BSC_CNS for the resources!

[Kirill Zinovjev @kirill_zinovjev]

That will do for the first tweet 😎
https://t.co/c1NeAUqc9F

[Iñaki Tuñón @InakiTunon]

The first tweet of my colleague @kirill_zinovjev is a very interesting contribution towards MLMM simulations

[Iñaki Tuñón @InakiTunon]

A new contribution of the group to the study of SARS-CoV-2 3CL Protease. With @CarlosRTNT @JavierR55880955 and collaborators from @UTalca published in @jctc_papers
https://t.co/xgNLVNrr4P

[Iñaki Tuñón @InakiTunon]

Supercomputer Simulations Show How Paxlovid, Pfizer’s Covid Antiviral, Works - https://t.co/kpUu84yua5

[Soc Biofísica España @SBEsp]

#paperhighlights #Dec2021 Check out the recent article of @InakiTunon @JavierR55880955 @CarlosRTNT in @angew_chem about inhibition mechanism od #SARSCoV2. Congrats to the authors!
🔗https://t.co/QcBoz2egQa

[Iñaki Tuñón @InakiTunon]

Do you want to see #Paxlovid (from @pfizer) in action against SARS-CoV-2? Check this video!
https://t.co/Uf52Ozkv6s

[Iñaki Tuñón @InakiTunon]

Our computational study (with @CarlosRTNT and @JavierR55880955 ) can be found here:
https://t.co/tKQYXnTJZE
Thanks to @GVAinnova @BSC_CNS and @SI_UVEG

[Iñaki Tuñón @InakiTunon]

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 https://t.co/PahyoQHf3u) and in orange our computational prediction published in Chem. Commun. 2021,57, 9096.

[Iñaki Tuñón @InakiTunon]

Excellent news about the novel #COVIDー19 oral antiviral of @pfizer known as #Paxlovid
https://t.co/g9VT5MXZyG
Preliminary results show 90% reduction of the risk of hospitalization or death.

[Angewandte Chemie @angew_chem]

Inhibition Mechanism of SARS-CoV-2 Main Protease with Ketone-Based Inhibitors Unveiled by Multiscale Simulations: Insights for Improved Designs (Tunon) @InakiTunon @CarlosRTNT @JavierR55880955 #openaccess
https://t.co/HJQTgbia0K

[Iñaki Tuñón @InakiTunon]

Our work about covalent inhibition of SARS-CoV-2 3CL protease with PF-00835231 is already online and open access in @angew_chem
https://t.co/3IhXpjMLrR
A work with @CarlosRTNT and @JavierR55880955
Thanks to @GVAinnova @CienciaGob @BSC_CNS and @SI_UVEG

[Iñaki Tuñón @InakiTunon]

Our last contribution to fight #COVID19 is now published in @ChemCommun
Computational simulations on the binding and reactivity of a nitrile inhibitor of the SARS-CoV-2 main protease https://t.co/tKQYXnTJZE

[Iñaki Tuñón @InakiTunon]

A contribution with @CarlosRTNT and @JavierR55880955
Thanks to @BSC_CNS @GVAinnova and @SI_UVEG

[Iñaki Tuñón @InakiTunon]

Using #compchem to fight #COVID19

Mechanism of the oral @pfizer SARS-CoV-2 Antiviral PF-007321332 unveiled by molecular simulations

Check out our @chemrxiv preprint:
https://t.co/2X7UapCMdo

with @CarlosRTNT and @JavierR55880955

Thanks to @BSC_CNS @SI_UVEG and @GVAinnova

[ACS Catalysis @ACSCatalysis]

The 3CL protease of SARS-CoV-2 is an attractive drug target. @InakiTunon @CarlosRTNT @JavierR55880955 ran multiscale simulations to unveil the binding mode of cysteine protease @UV_EG @FacQuimicaUVEG @SI_UVEG @BSC_CNS

Check it out! #ACSEditorsChoice
https://t.co/sfMpdVKByX

[Iñaki Tuñón @InakiTunon]

Our last ACS Catalysis paper now in the cover
https://t.co/6gupHyJuxx
@ACS4Authors #MyACSCover

[Iñaki Tuñón @InakiTunon]

Thanks to @BSC_CNS @SI_UVEG and @GVAinnova

[Iñaki Tuñón @InakiTunon]

Using #compchem to fight #COVID19

The mechanism of the @pfizer SARS-CoV-2 Antiviral PF-00835231 unveiled by molecular simulations.

Check out our @chemrxiv preprint:

https://t.co/VFIEW1KOe2

with @CarlosRTNT and @JavierR55880955

And don't miss our video below 👇👇👇

[Iñaki Tuñón @InakiTunon]

Don't miss the video of the reaction mechanism !