Ariane Nunes Alves
@anunesalves
Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)
Happy to share the work from @Farzin72256221, Iris Guo and me: we developed PathInHydro, a set of supervised #MachineLearning models to identify unbinding paths for gas molecules in [NiFe] hydrogenases. #compchem @UniSysCat doi.org/10.26434/chemr…
![anunesalves's tweet image. Happy to share the work from @Farzin72256221, Iris Guo and me: we developed PathInHydro, a set of supervised #MachineLearning models to identify unbinding paths for gas molecules in [NiFe] hydrogenases.
#compchem @UniSysCat
doi.org/10.26434/chemr…](https://pbs.twimg.com/media/GXGaMXTXgAEUHQy.jpg)
#BPS2026 T&C subgroup award nominations are closing soon! please submit !!
@BiophysicalSoc T&C Subgroup, nominations due in a few weeks! Let's celebrate the contributions that are shaping our field 🎉🧬💻🔬
We (and many!) have been thinking a lot about how to quantifiably measure the material properties of biomolecular condensates inside cells. Chris @ChrisabcdeAoM wrote this great review article about microscopy-based techniques link.springer.com/article/10.100… @UnivCamPharm
#cheminformatics and #peptide informatics ppl - is anybody aware of open source or commercial tools, other than ChemDraw, that can render HELM strings as connected monomers (ie not the usual atomistic depiction)? #visualization
My group is looking for a postdoctoral fellow through the IISc Postdoctoral Fellowship scheme. If you're excited about working at the interface of chemistry and biochemistry, and enjoy high-end computational techniques, feel free to reach out! iisc.ac.in/careers/post-d…
For interested students: Quantum Hackathon LATAM 2025 is happening this year (October 1-3) at the University of Montevideo, Uruguay. ingenieria.um.edu.uy/quantum_hackat…
Sad end of #compchem era… After 30+ years of service, CCL - computational chemistry list will be closing… 😢
The Klem Lab at LSU is hiring a postdoctoral researcher in computational biochemistry! Application info: klem-research-group.github.io/join/ ♻️ Please share with anyone who might be interested! #chemjobs #postdoc #compchem #biochemistry #enzymes
Time’s running out! Lead generative AI research for molecular dynamics in our lab AIMLeNS. - Scale our NeurIPS/ICLR-published implicit transfer operators to revolutionize simulations. Postdoc position closes 10. July. Apply now: chalmers.se/en/about-chalm…
Two types of PhD supervisor: 1) I gave that paragraph a third look over - still not sure it works 2) apologies for the 14 months of radio silence, how’s it all looking?
If you are in Oslo attending #WATOC2025 come and listen to my talk today at 5.30pm Hall C "Predicting protein-ligand, protein-protein, protein-membrane interactions using molecular simulations and AI" watoc2025.no/schedule
With this new funding, we’re hiring PhDs and #postdocjobs Our #ERCAdG studies on the role of #RQC #ribosome #ubiquitin in #neurodegeneration will include using iPSCs, i-neurons, mammalian TC. The lab also has ongoing projects on #mitochondria and bacterial RQC.
Thrilled and honored to receive the #ERCAdG! This will fund us for the next 5 yrs for groundbreaking research My project SuTra focuses on the Surveillance of Translation, from sensing #ribosome stalling to #RQC. We aim to learn how defective surveillance causes neurodegeneration
Today we’re releasing SAIR, the Structurally Augmented IC50 Repository. SAIR is the Largest Open-Sourced Binding Affinity Dataset with Cofolded 3D Structures. It includes more than 5 million protein-ligand structures, generated using our Large Quantitative Models and labeled…
📢Job offer: 3-year predoctoral contract on Computational rational design of electrocatalysts for sustainable nitrogen conversion and utilization is available at the group of Max Garcia Melchor at CIC energiGUNE. More information: cicenergigune.com/en/employment-… #compchem
🌟We are hiring! Seeking a postdoc to use molecular dynamics and AI to understand how ion channels are regulated by membrane lipids🌟 Join us at @ourANU with amazing collaborators and great working conditions! Apply: tiny.cc/corry. Us: karri.anu.edu.au
SHINE: Deterministic Many-to-Many Clustering of Molecular Pathways pubs.acs.org/doi/10.1021/ac… @ltchong #JCIM Vol65 Issue10 #ApplicationNote
📢 Check the new Volume 65 Issue 10 of #JCIM pubs.acs.org/toc/jcisd8/65/…
Please RT! I have 2 postdoctoral positions in my lab @BRFAA_IIBEAA to work on MD sims for protein allostery, cryptic pocket identification, CADD/FEP. Knowledge in coarse-grained MD is a plus. More info: linkedin.com/hiring/jobs/42…. Send me an email with your CV if interested!
The official opening to this position was just posted: chalmers.se/en/about-chalm…
We are looking for someone to join the group as a postdoc to help us with scaling implicit transfer operators. If you are interested in this, please reach out to me through email. Include CV, with publications and brief motivational statement. RTs appreciated!
Last few weeks to apply for a PhD position in our group within the MSCA Doctoral Network CATALOOP. If you are interested in asymmetric catalysis and data-driven chemistry don’t miss this opportunity! | EURAXESS euraxess.ec.europa.eu/jobs/350537