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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

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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

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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

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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.

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Senior Principal Scientist, CADD At Johnson & Johnson, we believe health is everything. Our strength in healthcare innovation empowers us to build a world where complex diseases are prevented, treated, and cured, where treatments...

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...

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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

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Scientific Leader, Molecular Design in Collegeville, Pennsylvania | GSK Careers GSK Careers is hiring a Scientific Leader, Molecular Design in Collegeville, Pennsylvania. Review all of the job details and apply today!

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...

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On Free Energy Calculations in Drug Discovery ConspectusThis Account discusses recent progress and challenges in binding free energy computations, focusing on two classes of enhanced sampling techniques: alchemical transformations and path-based ...

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....

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Senior Scientist, Computer-Aided Drug Design (CADD) - In Silico Discovery At Johnson & Johnson, we believe health is everything. Our strength in healthcare innovation empowers us to build a world where complex diseases are prevented, treated, and cured, where treatments...

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...

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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

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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

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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

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⚠️ 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

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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

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Postdoctoral Training Fellow - In Silico Medicinal Chemistry in Sutton | The Institute of Cancer Research View details and apply for this Postdoctoral Training Fellow - In Silico Medicinal Chemistry vacancy in Sutton. Salary: Dependent on relevant Postdoctoral experience. Thi...

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

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Postdoctoral Training Fellow - In Silico Medicinal Chemistry in Sutton | The Institute of Cancer Research View details and apply for this Postdoctoral Training Fellow - In Silico Medicinal Chemistry vacancy in Sutton. Salary: Dependent on relevant Postdoctoral experience. Thi...

#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...

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Scientific Software Developer - Drug Discovery | Careers - Dassault Systèmes Role Description & Responsibilities BIOVIA, a wholly owned subsidiary of DASSAULT SYSTEMES provides a sophisticated enterprise system of modeling, simulation, machine learning, laboratory, quality, an...

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

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Computational Chemistry Senior Research Scientist Job Description Research Scientist, Computational Drug Design General Summary: We are seeking a highly motivated and experienced computational chemist to join our Computational Drug Design group in Bo...

Opportunity for computational chemist at Vertex (Boston MA USA) ref: REQ-26016 #CADD #CompChem #cheminformatics #ChemJobs #chemsky 🧪
vrtx.wd501.myworkdayjobs.com/en-US/Vertex...

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GRCs are some of the best conferences I ever attended (at least in my fields of #compchem and #cadd)

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Culmination of #CADD GRC with a keynote session perspectives on computational drug discovery, after a traditional 🦞 dinner 😋#compchem #chemsky

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a bald man in a blue shirt and tie is covering his face with his hands . ALT: a bald man in a blue shirt and tie is covering his face with his hands .

Cofolding, cofolding, cofolding…! One of the major topics at #CADD GRC #chemsky #compchem

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Steamy morning for #CADD GRC photo 🔥 #compchem #skychem

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a lighthouse on a cliff overlooking the ocean ALT: a lighthouse on a cliff overlooking the ocean

Out to Portland, Maine for 2025 #CADD GRC ! Looking forward meeting with old friends and making new! #compchem

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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!

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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.

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

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Career Opportunities and Job Listings at Insmed Join our team! See our current job opportunities, benefits, and learn about what life is like as part of the Insmed community.

Opportunity in computational chemistry at Insmed (Cambridge UK) ref: R2428 #CADD #CompChem #cheminformatics #UKChemJobs #ChemJobs #chemsky 🧪
eu-careers-insmed.icims.com/jobs/6543/se...

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Scientist in Small Molecule Computer-Aided Drug Design (CADD) in Basel, Basel-City, Switzerland | Research & Development at Roche Apply for Scientist in Small Molecule Computer-Aided Drug Design (CADD) job with Roche in Basel, Basel-City, Switzerland. Research & Development at Roche

Opportunity in computer-aided #DrugDesign at Roche (Basel Switzerland) ref: 202506-115733 #CADD #CompChem #cheminformatics #ChemJobs #chemsky 🧪
careers.roche.com/global/en/jo...

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Sr Scientist I/II Informatics - Peptide Design Company Description: AbbVie's mission is to discover and deliver innovative medicines and solutions that solve serious health issues today and address the medical challenges of tomorrow. We strive to ...

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...

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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

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AI, Machine Learning and Cheminformatics Scientist (FTC - 12 months) | Cambridge, Cambridgeshire, United Kingdom | AstraZeneca Job Title: AI, Machine Learning and Cheminformatics role \- (1 year Fixed Term contract ) Location: Cambridge, UK Salary: Competitive + Excellent Employee Benefits! Applications Deadline: July 14 Do y...

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/...

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