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Posts tagged #DrugDesign

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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#AIBreakthroughs
๐Ÿค– Agentic AI: Models act with native computer skills.
๐Ÿ“š Context Windows: Instant access to vast data stores.
๐Ÿ’Š Drug Design: AI predicts protein folds, cuts costs.
#AIBreakthroughs #AgenticAI #ContextWindows #DrugDesign
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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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Original post on fediscience.org

The Coordinated Action โ€œDiagnostic, Therapeutic and Vaccine Viral Targetsโ€ of #ANRS MIE is organising a #webinar on #AI for molecular discovery. This webinar will explore how AI and #computational #modelling are advancing #drugdesign and protein research.
Speakers will present approaches for [โ€ฆ]

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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I explained to the students how #compchem and #DrugDesign play a crucial role in developing new treatmentsโ€”and how even waste products from nature can become tomorrow's medicines. Their enthusiasm reminded me why science communication and outreach are so important.

4/n

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#research #drugdesign

Fat or flat? The impact of dipole moment vectors on non-covalent interactions between aromatic tags and macromolecules (Holub, Jรญlkovรก, Lemke, Cianni et al.)โ€“โ€ช@inorgchemfront.rsc.org: doi.org/10.1039/D5QI...

#iic_rez @iocbprague.bsky.social @ucsdpharmacy.bsky.social

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Secured my second UMW grant for research on Pt(II) complexes in oncology. I employ DFT/MD simulations and chemical synthesis to map structural descriptors, aiming to deliver a robust predictive framework for streamlined drug discovery. ๐Ÿ†๐Ÿ’Š
#MedicinalChemistry #DrugDesign #CompChem #Oncology #DFT

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๐Ÿ“ข ๐‚๐š๐ฅ๐ฅ ๐Ÿ๐จ๐ซ ๐๐š๐ฉ๐ž๐ซ๐ฌ: ๐‚๐ฎ๐ซ๐ซ๐ž๐ง๐ญ ๐๐ก๐š๐ซ๐ฆ๐š๐œ๐ž๐ฎ๐ญ๐ข๐œ๐š๐ฅ ๐ƒ๐ž๐ฌ๐ข๐ ๐ง ๐Ÿ’Š

Submit your reviews and original research in drug design, medicinal chemistry, and pharmacology.

๐Ÿ“Š Impact Factor: 2.8 | CiteScore: 5.9

๐Ÿ”— Submit: https://bit.ly/4t8OYdA

#Pharma #DrugDesign #MedicinalChemistry #Pharmacology #SciSky

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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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 ๐Ÿงช
www.careers.jnj.com/en/jobs/r-05...

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๐Ÿ”ฌ Excited about structure-based drug design?
Join us at the 38th Molecular Modelling Workshop in Erlangen (10.03.2026) and get hands-on with ProteinsPlus!
๐Ÿงฌ For more information see: www.denbi.de/training-cou...
#MolecularModelling #Bioinformatics #ProteinsPlus #DrugDesign

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Available for Pre-order now....

๐Œ๐š๐œ๐ก๐ข๐ง๐ž ๐‹๐ž๐š๐ซ๐ง๐ข๐ง๐  ๐š๐ง๐ ๐ƒ๐ž๐ž๐ฉ ๐‹๐ž๐š๐ซ๐ง๐ข๐ง๐  ๐ข๐ง ๐ƒ๐ซ๐ฎ๐  ๐ƒ๐ž๐ฌ๐ข๐ ๐ง

Kunal Roy, Arkaprava Banerjee

๐‘๐จ๐ฒ๐š๐ฅ ๐’๐จ๐œ๐ข๐ž๐ญ๐ฒ ๐จ๐Ÿ ๐‚๐ก๐ž๐ฆ๐ข๐ฌ๐ญ๐ซ๐ฒ (2026)

www.amazon.it/Machine-Lear...

#MachineLearning #DeepLearning #Modeling #DrugDesign #Pharmaceuticals #Cheminformatics

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช

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โญ๏ธ Registration and Abstract submission is open for the "3rd BioExcel Conference on Advances in Biomolecular Simulations"

๐Ÿ—“๏ธ 27 - 30 September 2026
๐Ÿ“ Brno, Czechia
โ„น๏ธ More info: bioexcel.eu/hzr0

#molecularsimulation #moleculardynamics #AI #compchem #drugdesign #molecule #computing #conference

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A most excellent molecule (and chemist) with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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A most excellent molecule with which to conclude the week and mark the New Year #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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One molecule tweak = safer brain drugs! ๐Ÿคฏ๐Ÿงช KYNA analogs preserve motor control while modulating glutamate! ๐Ÿง โœจ
@mdpiopenaccess.bsky.social #Neuroscience #DrugDesign #Kynurenine #Schizophrenia #Parkinsons
Explore now ๐Ÿ‘‰ doi.org/10.3390/cell...

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Check it out!!! #compbio #drugdesign #AI4Science

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Check it out! #compbio #drugdesign #ai4science

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A most excellent molecule (and chemist) with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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New paper in collaboration with Q-CTRL demonstrating the use of NISQ hardware for the water placement problem in drug design, up to 123 qubits on IBM's Heron QPU! #quantumcomputing #compchem #drugdesign

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Important work by @alexrob.bsky.social, showing how viral evolution can turn โ€œstrongerโ€ antivirals into easier resistance routes. A fascinating reminder of how biology outthinks us.
Find more biomedical studies via SciOpen: www.sciopen.com
#Microbiology #AntiviralStrategy #DrugDesign #SciOpen ๐Ÿงช๐ŸŒ ๐ŸŒ

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A most excellent molecule with which to conclude the week #SynChem #BB #DrugDesign #DrugDiscovery #chemoinformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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Covalent ligand efficiency It appears that whoever first described Economics as the โ€˜Dismal Scienceโ€™ had never encountered a ligand efficiency metric. Iโ€™ll be taking a...

Iโ€™ve reviewed Ferenczy & Keserลฑ (2025) Covalent Ligand Efficiency DDT 30:104454 DOI: 10.1016/j.drudis.2025.104454 #DrugDesign #DrugDiscovery #metric #MedChem #cheminformatics #chemsky ๐Ÿงช
fbdd-lit.blogspot.com/2025/11/cova...

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A most excellent molecule with which to conclude the week #SynChem #BB #MedChem #DrugDesign #DrugDiscovery #cheminformatics #chemsky ๐Ÿงช
enaminestore.com/catalog/EN30...

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I share our work introducing Structureโ€“Property Associations (SPA) โ€” a concept with strong potential in #MedChem and #DrugDesign.

Link: doi.org/10.1002/cmdc...

Huge thanks to my mentors @jose-difacquim.bsky.social and Karina, who first envisioned this paradigm shift.

@chemistryeurope.bsky.social

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