Hi LatinXChem, presenting my work ‘Molecular Dynamics simulations of the Chikungunya virus - cellular receptor complex’ at #LatinXChem24 #LatinXChemComp #Comp135

Big news for #DrugDiscovery! 🎉BioChemGraph team released its first dataset, linking 17K+ PDB-ligand complexes to 39K ChEMBL Database bioactivity records in Protein Data Bank & 32K @CCDC IDs in UniChem, speeding drug discovery & repurposing! 🎯 Explore here: ebi.ac.uk/about/news/upd… #OpenData

#retweet Join our group Fall 2025! Projects: method development for drug design, ML, and MD simulations. Candidates with a strong coding background (specially in C++) are ideal! Apply through: chem.ufl.edu/graduate/ Deadlines: Preferred: December 1st Final: December 15

University of Rochester Chemistry announces its 2025 International Student Summer Research (iScholar) Program: sas.rochester.edu/chm/undergradu… Outstanding international undergraduate (or M.S.) students planning to pursue a PhD in Chemistry in the future are encouraged to apply.

Si estás interesado en unirte al Departamento de Química del Cinvestav como Profesor investigador, postula a la convocatoria. Esperamos un nuevo colega entusiasta que se una a nuestro reconocido centro de investigación en Ciudad de México. portal.cinvestav.mx/zacatenco/quim…

📢PLAZA DE INVESTIGACIÓN Concursa por un puesto para investigador o investigadora de tiempo completo en nuestro departamento. Consulta la convocatoria en: portal.cinvestav.mx/zacatenco/quim…

POSTDOC IN MOL SIMULATIONS AND AI Open position in my group, apply here: iit.taleo.net/careersection/… Looking for motivated candidates. 👍💪🥇

I am looking for 2 one-year #postdocs in #computational condensed matter physics. Ideal candidates: 🔬 #physicists or #theoreticalchemists 💻 Expertise in #moleculardynamics or #abinitio #electronic #structure methods RT appreciated 1/3

#PostDoc opportunity at University of Vienna in computational #DrugDiscovery & #DrugDesign (Austria) ref: 3336 | duration: 3 years | closing: 19-Jan-2025 #CADD #CompChem #cheminformatics #ML #AI #PostDocJobs #ChemPostDoc jobs.univie.ac.at/job/University…

The CECAM Flagship Workshop is coming to Madison, July 14-16, 2025! Hosted at datascience@uw (thanks!), organized by Greg Bowman, Bettina Keller, and me (CECAM-US-CENTRAL). We have slots for contributed talks - apply here (deadline: June 11): cecam.org/workshop-detai…

✅ Do you have a PhD in #compchem or #physics? ✅ Is electronic structure your obsession? ✅ Do you love to code? ➡️ You should join us for a #postdoc! jobs.rutgers.edu/postings/242629

Happy New Year to all the BioExcel community! 🎇 Our first webinar of the year will feature Attilio Vittorio Vargiu who will talk about how to account for protein and ligand flexibility in molecular docking 🗓️ 28 January 2025, 15:00 CET ➡️ bit.ly/40q3gKG #webinar

Hey #compchem and #compphys undergrads: are you interested in joining a fun and hard working group at Rutgers for your PhD? Join us! DM or email me! prg.rutgers.edu

📢 Applications open to join the second edition of the CAMLC workshop, a great opportunity for chemists who want to learn about cheminformatics, automation, and machine learning. September 16-19 in Zaragoza, Spain. 🗓️ Application deadline: February 28 👉🏻 camlcworkshop.github.io

I’m looking for new PhD students wanting to use computational chemistry to study atmospheric reactions. Topics: Hg redox reactions at surfaces. AI to study how hydrogen bonds (R=O--HO• and RO(H)--HO) affects kinetics of H-abstraction. [email protected] 1/2

MERCK has just announced three new professional opportunities (Principal Scientists, Computational Chemistry) in their Boston and West Point (PA) locations. Visit the MolSSI employment page for more information! molssi.org/job-opportunit…

A PhD position in theoretical chemistry (2025-2028) is available in my group starting in October. Info&Apply: huixrotllant.github.io/openings.html #academicjobs #compchem Please RT

🔹 66 vacantes disponibles para docencia en tiempo completo (TC) y medio tiempo (MT) en diferentes facultades. 📅 Inscripciones del 25 de marzo al 21 de abril de 2025 Consulta los requisitos y postúlate en nuestro sitio web, haciendo clic en shorturl.at/szxoU

A great opportunity to work with the GROMACS development team in Sweden on enhanced sampling in molecular dynamics🔝🖥️🇸🇪 ℹ️ More information: bioexcel.eu/u583 🗓️ Application deadline: 2 June 2025 GROMACS #jobs #moleculardynamics

Resolving Molecular Interactions in Protein Folding Trajectories with NCIPLOT #MolecularDynamics pubs.acs.org/doi/10.1021/ac… David de Sancho Xabier Lopez Kimika Fakultatea UPV/EHU DIPC TheoChem_EHU #JCIM Vol65 Issue19 #compchem