Gerard Pujadas

Cheminformatics & Nutrition Research Group (Biochemistry & Biotechnology Department, Universitat Rovira i Virgili)

[Gerard Pujadas @Gerard_Pujadas]

In the SARS-CoV-2 mutation portal you can analyze where the different types of mutations occur and what their frequency has been. Thanks to https://t.co/zuBpjMKKCt for their invaluable help in developing this database. @cheminform_URV

[Cheminformatics & Nutrition Research Group (URV) @cheminform_URV]

The SARS-CoV-2 mutational portal is out. It contains SARS-CoV-2 mutation data derived from the analysis of more than 4.5 million complete genomes available in GISAID. More info at https://t.co/YzsapXKzEW

[Gerard Pujadas @Gerard_Pujadas]

New article from our research group on the SARS-CoV-2 mutational landscape

[Cheminformatics & Nutrition Research Group (URV) @cheminform_URV]

@pgarciasegura @ppuigbo @bsaldivaremc2 @Gerard_Pujadas @GerardPujadas @nilnovau @bioquimicaURV @comunicacioURV @quimicaURV @enologiaURV

[Cheminformatics & Nutrition Research Group (URV) @cheminform_URV]

Our first paper in collaboration with the ASCLEPIUS research group at URV is now available and opens the door to coupling quantitative prediction of bioactivity in virtual screening to find new non-covalent M-pro inhibitors of SARS-CoV-2. https://t.co/W494q23Zuf

[Cheminformatics & Nutrition Research Group (URV) @cheminform_URV]

New doctoral dissertation in our research group next Monday May 15: : "Studying the limits of protein-ligand docking to predict new non-covalent inhibitors for the SARS-CoV-2 main protease" by Guillem Macip Sancho.

[Gerard Pujadas @Gerard_Pujadas]

Thanks @MLJARofficial for your nice comments on our work !!!

[Gerard Pujadas @Gerard_Pujadas]

@GerardPujadas @pgarciasegura @bioquimicaURV @bsaldivaremc2 @cofundURV @cienciaURV @ComissioEuropea @Carlota_Marti @SergioGomezJ @_AlexArenas @iamalphalee @dpradagracia @london_lab @EuOpenscreen @__philipn__ @LindorffLarsen @philbiggin @EricTopol @jppiquem @egonwillighagen

[Gerard Pujadas @Gerard_Pujadas]

Our paper "Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks" has been just published in IJMS. Our results can be used to find antiviral drugs that will be effective against future SARS-CoV-2 mutations. More information at https://t.co/6aImyX9t1R

[Gerard Pujadas @Gerard_Pujadas]

Our paper "Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks" has been just published in IJMS. Our results can be used to find antiviral drugs that will be effective against future SARS-CoV-2 mutations. More information at https://t.co/6aImyX9t1R

[Gerard Pujadas @Gerard_Pujadas]

@quimicaURV @universitatURV Moltes gràcies !!!

[Sergio Gómez @SergioGomezJ]

13/ Please help spread @universitatURV @deimurv @_AlexArenas @jtmatamalas @MarionaVinaixa @manlius84 @yaneslab @rogertgn @Gerard_Pujadas @GMarfanyN @rstatstweet @CRANberriesFeed @rstats4ds @RLangTip @DataSciFact @R4DScommunity

[Gerard Pujadas @Gerard_Pujadas]

@covid_moonshot @rachaelskyner We are very proud that our team has been selected by the MEDIATE project with the donation of a VR-GPU workstation that will help us improve our research on SARS-CoV-2 M-pro inhibition. Thanks @exscalate4cov, @DompeFarma !!! https://t.co/8KXAf872TR

[Gerard Pujadas @Gerard_Pujadas]

@jchodera @wpwalters @JorgensenWL @covid_moonshot @PostEra_AI @cienciaURV @GerardPujadas @EckerGerhard happy that our critical review of docking-based VS in drug repurposing for SARS-CoV-2 M-pro inhibition https://t.co/mI81AKjd03 is already open access at Med Res Reviews website

[Gerard Pujadas @Gerard_Pujadas]

@JorgensenWL @cenmag @IJMS_MDPI at https://t.co/vgS20oUTMu @GerardPujadas

[Gerard Pujadas @Gerard_Pujadas]

@JorgensenWL @cenmag @IJMS_MDPI (Celecoxib, Carprofen and Sarafloxacin were the three other ones). The remaining three ones have not been experimentally tested but one of them (Alprazolam) could be of interest also for your SAR studies. You can have more information about how we make these succesful predictions

[Gerard Pujadas @Gerard_Pujadas]

@nathanbroon @covid_moonshot and https://t.co/OfKBG2M6pn

[Gerard Pujadas @Gerard_Pujadas]

@nathanbroon @covid_moonshot https://t.co/buJxn4bF4g

[Gerard Pujadas @Gerard_Pujadas]

@covid_moonshot Is this inhibitor present in any of the 3D structures in the Fragalysis section for SARS-CoV-2 M-pro or at the PDB?

[Gerard Pujadas @Gerard_Pujadas]

@rachaelskyner @covid_moonshot Thanks a lot for replying !!!

[Gerard Pujadas @Gerard_Pujadas]

@covid_moonshot is there any easy way to find which PDB code is associated with t'he different inhibitors that you have co-crystallized with M-pro?