New Grand Challenge article revisiting the progress and future challenges of computer-aided drug design, including chemical space exploration, methodology integration, open science, and education in the AI era.
www.frontiersin.org/journals/dru...
#DrugDiscovery #Chemoinformatics #CADD #AIinScience
The Paris School kicks off tomorrow (04.03) at 9:00 AM CET☀️ The full programme and hybrid lecture list + Zoom meeting IDs for the first three days of lectures is available on aichemist.eu/lectures
See you all tomorrow! #AI4Science #drugdiscovery #machinelearning #CADD
With our latest #WEASEL release, it is time to introduce another workflow: the fully automated calculation of rotational barriers for arbitrary molecules, enabling the reliable identification and classification of #atropisomers.
www.faccts.de/weasel/
#FACCTs #Workflows #QuantumChem #CompChem #CADD
We began with an intro to Computer-Aided Drug Design (CADD), followed by a hands-on session using the KNIME Enalos/Asclepios Tools developed by NovaMechanics Ltd. These tools provided an excellent framework for exploring how workflow automation and integrated analytics can streamline #CADD.
2/n
Opportunity in computer-aided #DrugDesign at Johnson & Johnson (Toledo Spain) ref: R-054911 #CADD #CompChem #cheminformatics #EUChemJobs #ChemJobs #chemsky 🧪
www.careers.jnj.com/en/jobs/r-05...
Dept of Transportation is hiring 2 #ProjectDevelopmentSpecialist positions to design highway improvement plans using #CADD & Civil 3D in #GreenBayWI. $54,766-$74,880/yr +excellent benefits. Apply by 1/19. #WIjobs #govjobs #EngJobs https://ow.ly/Fwn050XWoUt
Opportunity in molecular design at GSK (Upper Providence PA USA) ref: 430145 #CADD #cheminformatics #CompChem #DrugDesign #DrugDiscovery #ChemJobs #chemsky 🧪
jobs.gsk.com/en-gb/jobs/4...
Ghidini, Serra & Cavalli (2025) On Free Energy Calculations in #DrugDiscovery | Acc Chem Res 58:3137-3145 DOI: 10.1021/acs.accounts.5c00465 #CADD #DrugDesign #CompChem #cheminformatics #OpenAccess #chemsky 🧪
doi.org/10.1021/acs....
Opportunity in computer-aided drug design at Johnson & Johnson (USA: San Diego CA/Spring House PA) ref: R-036349 #CADD #cheminformatics #CompChem #ChemJobs #chemsky 🧪
www.careers.jnj.com/en/jobs/r-03...
The magic? AI doesn’t just split the design — it optimizes:
⚙️ Seam placement
🏠 Connector design
📦 Printability
🔄 Expand/contract options
Buildings become modular, adaptable, and recyclable. #AI #CADD @autocad.bsky.social
5️⃣ Featuring the fifth of our showcase projects
Our automated pipeline, built on BioBBs, uses #AlphaFold, MD simulations, and virtual screening to output a list of ligand poses ➡️ bioexcel.eu/1c1j
#DrugDiscovery #Workflows #CADD #VirtualScreening
At #Domainex, we are continuously expanding our computational chemistry toolkit to better guide molecular design and selection. Find out more in our latest blog:
www.domainex.co.uk/news/new-pre...
#CADD #ComputationalChemistry #CompChem
⚠️ NEW JOB ALERT: #CADD Support #Engineer in #WestGrove, #PA! Must have 2–10 yrs exp. with #MicroStation2024 & #Bentley #OpenBuildings, plus knowledge of #BIM modeling & #transportation standards. $90/hr (1099). Apply now: apply.workable.com/tomorrow-hir... #TomorrowHire
Day 3 opened with Kenneth Atz @Roche tackling the holy grail of #CADD: P-L binding #affinity prediction. By reframing limits of data & models, we can focus on the next solvable challenges - a sharp reminder of complexity & progress ahead.
#CECAM @cecamevents.bsky.social @iocbprague.bsky.social
We're #hiring! 💻💊
Our @compchem-icr.bsky.social team is seeking to recruit a #postdoc to contribute to breakthrough cancer #drugdiscovery at @icr.ac.uk
📅 Application deadline: 12-September-2025
📍 Centre for Cancer Drug Discovery, Sutton, UK
jobs.icr.ac.uk/vacancies/13...
#CADD #compchem #cheminfo
#PostDoc opportunity: In Silico medicinal chemistry at the Institute of Cancer Research ICR (Sutton UK) duration: 2 years | closing: 12-Sep-2025 #CADD #CompChem #cheminformatics #ChemPostDoc #PostDocJobs #chemsky 🧪
jobs.icr.ac.uk/vacancies/13...
My team at BIOVIA is hiring for a Scientific Software Developer position based in San Diego! We're developing computational methods + tools for drug discovery with particular interest in protein modeling and engineering, #CADD, and #ML/#AI applications in these areas. #compchem #chemsky #chemjobs
Opportunity for computational chemist at Vertex (Boston MA USA) ref: REQ-26016 #CADD #CompChem #cheminformatics #ChemJobs #chemsky 🧪
vrtx.wd501.myworkdayjobs.com/en-US/Vertex...
GRCs are some of the best conferences I ever attended (at least in my fields of #compchem and #cadd)
Culmination of #CADD GRC with a keynote session perspectives on computational drug discovery, after a traditional 🦞 dinner 😋#compchem #chemsky
Out to Portland, Maine for 2025 #CADD GRC ! Looking forward meeting with old friends and making new! #compchem
Leaving Boston today after a great visit where we gave a hands-on training in #SQM affinity predictions. Now heading north to Maine, where I have the honor of chairing the GRS in #CADD & presenting our latest work at the #GRC.
Looking forward to the discussions, connections & science ahead!
A recruitment graphic from the Metropolitan Water Reclamation District of Greater Chicago (MWRD) featuring a high-angle aerial view of downtown Chicago and Lake Michigan, with dozens of sailboats visible in the harbor. Centered on the image is a white box with bold blue text that reads: “JOIN OUR TEAM!” At the bottom, a dark blue banner displays the web address “MWRD.ORG/CAREERS” in bright blue, along with icons for various social media platforms including Facebook, X, Instagram, Threads, Bluesky, YouTube, and LinkedIn.
🏆 Join a leading organization committed to protecting water quality in #CookCounty! The #MWRD is seeking talented professionals for “CADD Administrator.”
✍️ The application period opens today and closes on July 25, 2025.
➡️ Details: jobapscloud.com/MWRD/
➡️ MWRD.org/Careers
#Careers #Jobs #CADD
Opportunity in computational chemistry at Insmed (Cambridge UK) ref: R2428 #CADD #CompChem #cheminformatics #UKChemJobs #ChemJobs #chemsky 🧪
eu-careers-insmed.icims.com/jobs/6543/se...
Opportunity in computer-aided #DrugDesign at Roche (Basel Switzerland) ref: 202506-115733 #CADD #CompChem #cheminformatics #ChemJobs #chemsky 🧪
careers.roche.com/global/en/jo...
Opportunity for computational chemist for cyclic peptide design at AbbVie (North Chicago USA) #CADD #CompChem #cheminformatics #AI #ML #ChemJobs #chemsky 🧪
jobs.smartrecruiters.com/AbbVie/37439...
How does computational method help drug discovery? I dive into predicting drug potency:
🔹 Potency Defined
🔹 Computational Tools
🔹 Relevant Free Energy Matters
🔹 Real Impact
quantabricks.substack.com/p/computer-a...
#drugdesign #drughunt #drugdiscovery #CADD #compchem #chemsky #chemistry #chembio
Opportunity for #AI, #ML and #cheminformatics scientist at AstraZeneca (Cambridge UK) duration: 12 months | duration: 12 months | closing: 13-Jul-2025 #CADD #DrugDesign #DrugDiscovery #CompChem #UKChemJobs #chemsky 🧪
astrazeneca.eightfold.ai/careers/job/...
