Ana Rita Calixto

Researcher at LAQV/REQUIMTE

[IQCC UdG @IQCCUdG]

We have a new doctor at the IQCC! We are really pround of @ccalvotusell for completing a PhD under supervisión of @silviaosu and @MarcGBQ. We wish her all the best in her professional future.

@udgdoctorat @UdGRecerca @gentudg @TCBioSys

[Caroline Lynn Kamerlin 🇺🇸🇬🇧🇸🇪🇮🇷 ☀️ 🇪🇺🦓 @kamerlinlab]

Come join us in beautiful Atlanta, we are hiring! My group at Georgia Tech currently has a vacancy of one senior scientist, and one (possibly more) postdoctoral researchers. Links to job listings below, start possible any time after 1st October by mutual agreement. 1/3 #chemjobs

[Eduard Matito 🎗 @eduardmatito]

A provocative statement by Roald Hoffmann at the closing of #WATOC2020 #quantumchemistrydemise

[Ana Rita Calixto @Rita_Calixto]

What a wonderful week in Vancouver full of great science! #WATOC2020 #compchem

[Girona Seminar 2026 @GironaSeminar]

Thanks to all the speakers of session IV, time for coffee break and group picture!!! @GironaSeminar #GS22

[Soapbox Science Uppsala @UppsalaSoapbox]

Are you planning to go to the city center? How curious are you? Come a listen to these 12 amazing women scientists explaining the research they do!! 👩🏼‍🔬⚗️We will be at Celsiustorget from 13-16h!⏰ @SoapboxScience @UU_University @_SLU

[Soapbox Science Uppsala @UppsalaSoapbox]

Soapbox Science Uppsala is back this year!! Join us
@SoapboxUppsala @2022Soapbox
on the 21st of May at Celsiustorget in central Uppsala and learn about the great work of women in science!! ⌛️
https://t.co/BxXxkSCOSm

[UN Women @UN_Women]

#WomenInScience are still underrepresented and struggle to get recognition for their achievements.

On 11 February, take a stand with UNESCO and UN Women to end gender bias that holds girls back from pursuing a career in #STEM!

[EMBL-EBI Training @EBItraining]

That's a wrap on this year's #structural #bioinformatics. Thank you to the trainees, trainers & organisers involved.

From #AlphaFold to @PDBeurope & everything in-between, this course had it all. We can't wait to see you put your new skills into action. #BioinformaticsTraining

[Ana Rita Calixto @Rita_Calixto]

@Liao_Qinghua @MSCActions @EU_Commission @UniBarcelona @CRovira_Bcelona @kamerlinlab @strodellab Many congratulations Qinghua!

[Ana Rita Calixto @Rita_Calixto]

@vohringerlab @LatinXChem @CatiaDSMoreira Hi! We used the GTP hydrolysis in aqueous solution as "reference reaction"(both solvent and substrate assisted mechanisms).We calibrate the EVB potential to fit the experimental dG* and dG0 of the uncatalyzed reaction, and use the same EVB parameters for the enzyme reaction.

[Ana Rita Calixto @Rita_Calixto]

Hi @LatinXChem, this is my work entitled "Computational modeling of biological phosphate hydrolysis", developed with @CatiaDSMoreira.
#LatinXChem #LatinXChemTheo #Theo151
We are looking forward to discuss our work with you!

Related publication: https://t.co/fROjIAuPpt

[Ana Rita Calixto @Rita_Calixto]

@CisnerosRes @LatinXChem @CatiaDSMoreira Thank you for your question!The orientation of the catalytic water molecule can influence the barriers.However, the average barriers for the substrate-assisted mechanism were always higher when compared to the solvent-assisted ones (20 replicas/system).

[Ana Rita Calixto @Rita_Calixto]

@MichelleFrancl @LatinXChem @CatiaDSMoreira Our proposed mechanism for GTP hydrolysis by Ras and related enzymes can help to understand the mechanism of oncogenic Ras mutants (for example) and open new opportunities to study inhibitors for this enzyme.

[Ana Rita Calixto @Rita_Calixto]

@MichelleFrancl @LatinXChem @CatiaDSMoreira Thank you for your comment and question! The high occurrence of Ras mutations in cancers makes this enzyme a good drug target in oncology.

[Ana Rita Calixto @Rita_Calixto]

@kamerlinlab

[Ana Rita Calixto @Rita_Calixto]

#IOPPposter #chemistry @IOPPublishing
See my poster with @CatiaDSMoreira: "GTP hydrolysis without an active site base: A unifying mechanism for Ras and related GTPases". We will be happy to discuss our work with you.

Related publication: https://t.co/fROjIAuPpt

[Caroline Lynn Kamerlin 🇺🇸🇬🇧🇸🇪🇮🇷 ☀️ 🇪🇺🦓 @kamerlinlab]

We will be announcing new positions to join the group after the summer, primarily more senior (postdoc/senior researcher) but possibly also at PhD level. If you are interested, please email or DM me for more info! #chemjobs

[ACS_Omega @ACS_Omega]

Latest ASAP #MiniReview "Recent Advances in Understanding Biological GTP Hydrolysis through Molecular Simulation" by Lynn Kamerlin & co-workers @kamerlinlab @Rita_Calixto @UUBiochem @uppsalauni https://t.co/b89YSEDIUt

[Sofie Ye @snofi8]

Celebrating #WomenInScience with all these amazing women #chemists of #Uppsala 🙌 Thank you ALL for coming! So happy to have shared some thoughts on #leadership and #bonding with you all at this year's @IUPAC Global Women's Breakfast! #GWB2020 #GWB2020uppsala