#drugdesign search results
An eNBy who works with the binaries (of the living) here ✌🏼 #LGBTQinSTEM #DrugDesign #Bioinformatics
🔗 MM-DRPNet: A multimodal dynamic radial partitioning network for enhanced protein–ligand binding affinity prediction. doi.org/10.1016/j.csbj… 📚 CSBJ: csbj.org #StructuralBiology #ProteinLigandInteraction #DrugDesign #ComputationalChemistry #AI @CSB_Journal
Exciting news! Delighted to welcome @QMC_Anouar as new Team Lead High Performance Electronic Structure Theory. With over a decade of experience at Argonne, Anouar is ready to drive breakthrough discoveries in #drugdesign using classical + #quantumcomputing
#enaminecompany Check out this outstanding small amine by @EnamineLtd ‘s chemists! ⁉️🧲Why cyclopropane protons are chemically inequivalent? Write your thoughts in the comments section 👇. . #drugdesign #drugdiscovery #pharma #nmr #nmrchat #chemistry #organicchemistry
Baylor College of Medicine and Site Tx, Inc. are collaborating to advance #drugDesign @DamianYoung29 M. Matzuk @bcmhouston blogs.bcm.edu/2025/09/25/fro…
Automated #DrugDesign with our new #GenerativeAI method. We show spatial sub-sampling enables molecular scaffold hopping, linker design, fragment growing, and pattern replacement. @JCIM_JCTC paper: pubs.acs.org/doi/10.1021/ac… code: github.com/jssweller/Drug… @RemoRohs lab @qcb_usc
Check out our new cover in the current issue of @JCIM_JCTC! #GenerativeAI #DrugDesign Structure-Based Drug Design with a Deep Hierarchical Generative Model pubs.acs.org/doi/10.1021/ac… code: github.com/jssweller/Drug…
#ChemMedChem #OnTheCover Structure-Based #DrugDesign of Novel Heterocyclic Scaffolds as TgCDPK1 Inhibitors (ChemMedChem 18/2025) (James W. Janetka and co-workers) onlinelibrary.wiley.com/doi/10.1002/cm… • onlinelibrary.wiley.com/doi/10.1002/cm…
ETH Zurich Chemists unveil #DRAGONFLY, a novel interactome-based deep learning approach for de novo #drugdesign, generating tailored drug-like molecules with desired bioactivity and synthesizability. Quick Read: cbirt.net/eth-zurich-che… #Bioinformatics #AI #ML #LLM #sciencenews
Quantum Hacks for Better Drugs: #Quantum_Tunneling isn’t just for physics—it’s key to understanding enzyme reactions! Imagine precision-designed drugs tailored by quantum mechanics. The future of medicine is Quantum. #QuantumBiology #DrugDesign
This week on the Clinician - Scientist series, we are discussing the all important #DrugDiscovery process. India has immense potential to develop proprietary drug better suited for our population LIVE on YouTube youtube.com/watch?v=hhPzcL… #DrugDiscovery #DrugDesign #SmallMolecules
The Jin-Quan Yu Lab has developed a method to create ‘gamma chiral centers’ on carboxylic acids, published in @ScienceMagazine. This could revolutionize #drugdesign by enhancing the ability to build complex pharmaceutical #molecules. More: ow.ly/GRBS50RNTWh
We are attending a fantastic scientific congress (24th EuroQSAR) in Barcelona with my students! It’s truly rewarding to see their excitement as they present the groundbreaking research they’ve conducted in our Lab. @Bahcesehir #DurdagiLab #drugdesign #euroqsar
A huge congratulations to Dr. @JULIANCREMER15 for successfully defending his PhD - we are on a roll! Dr. Cremer will continue his outstanding work on #denovo #drugdesign, which has received many accolades and an impressive amount of citations, as a postdoc at @pfizer. 👨🔬👏🎉
The @JinWangLab, H Lin et al developed a new analytical tool to optimize the potency and selectivity of drugs. #drugDesign @NatureComms @GENbio genengnews.com/topics/drug-di…
#DrugDesign #AI: researchers have devised a deep learning framework to predict protein–ligand binding and conformational changes using only sequence and 2D-structure inputs. The framework could facilitate the development of novel therapeutic drugs - nature.com/articles/s4146…
This comprehensive new review by Evotec scientists delves into the essential role of conformational drivers in #DrugDesign including how molecular conformation influences key drug properties, providing real-world examples. Read the full review here- hubs.ly/Q02YcJmN0
Prof TP Singh joins the Prof Vijayan School of Macromolecular X #Crystallography and talks about his pioneering work in the field of Rational Structure Based #DrugDesign @aiims_newdelhi
🔬 Proteins respond to their environment in ways we’re only beginning to understand. A new project, diffUSE, will advance our understanding of #protein motion, reshaping how we study #disease, #drugdesign, and protein function. @Vanderbiltu @stephanie_mul medschool.vanderbilt.edu/basic-sciences…
Simulating molecular interactions with unprecedented accuracy. #DrugDesign
Simulating molecular interactions with unprecedented accuracy. #DrugDesign
An eNBy who works with the binaries (of the living) here ✌🏼 #LGBTQinSTEM #DrugDesign #Bioinformatics
Can novel pyrimidine analogues offer a new route to safer anti-inflammatory drugs? Read the Article here: bit.ly/3XcHvg9 #AcademicResearch #DrugDesign #PyrimidineDerivatives #InflammationResearch #MedicinalChemistry #InSilicoStudies #biosciences #Nanoparticles #Science
First day in the research lab at Lehman College. Proud to represent CUNY Research Scholars and grateful for the opportunity to grow, learn, and work alongside my mentors. #DrugDesign #STEM #Biophysics #ComputationalBiology
Simulating molecular interactions with unprecedented accuracy. #DrugDesign
Digital Twins for Drug Design: Importance, Applications and Future Perspectives Read the Article here: bit.ly/47QvSin #AIinDrugDesign #DigitalTwin #DrugDesign #InSilicoSimulation #Pharmacokinetics #Pharmacodynamics #PharmaceuticalInnovation #chemistry #biochemistry
Simulating molecular interactions with unprecedented accuracy. #DrugDesign
#DrugDesign #AI: new deep learning model can generates messenger RNA codon sequences for enhanced messenger RNA translation. The model may significantly enhance translation efficiency and therapeutic efficacy in vaccines and protein replacement therapies - nature.com/articles/s4146…
Simulating molecular interactions with unprecedented accuracy. #DrugDesign
Simulating molecular interactions with unprecedented accuracy. #DrugDesign
Save the dates! The 3rd BioExcel Conference on Advances in Biomolecular Simulations is happening: 🗓️ 27-30 September 2026 🌐 Brno, Czech Republic ℹ️ bioexcel.eu/hzr0 Registration opens: 19 January 2026 #moleculardynamics #freeenergy #drugdesign #ai #conference
Crystallography and it's Role in Molecular Structures Read the Article here: bit.ly/47w8J4W #Crystallography #DrugDesign #MolecularStructures #MaterialsScience #StructuralBiology #XrayDiffraction #chemistry #biochemistry #nanomaterial #analyticalchemistry
⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign
🔗 MM-DRPNet: A multimodal dynamic radial partitioning network for enhanced protein–ligand binding affinity prediction. doi.org/10.1016/j.csbj… 📚 CSBJ: csbj.org #StructuralBiology #ProteinLigandInteraction #DrugDesign #ComputationalChemistry #AI @CSB_Journal
#enaminecompany Check out this outstanding small amine by @EnamineLtd ‘s chemists! ⁉️🧲Why cyclopropane protons are chemically inequivalent? Write your thoughts in the comments section 👇. . #drugdesign #drugdiscovery #pharma #nmr #nmrchat #chemistry #organicchemistry
Exciting news! Delighted to welcome @QMC_Anouar as new Team Lead High Performance Electronic Structure Theory. With over a decade of experience at Argonne, Anouar is ready to drive breakthrough discoveries in #drugdesign using classical + #quantumcomputing
TÜSEB'e sunduğumuz ArGe projemizin kabul edildiğini duyurmaktan çok memnunum. #durdagilab #drugdesign @BAU_Pharmacy @Bahcesehir @EnverYucel
Alzheimer'a karşı ilaç yeniden konumlandırma çalışmamız JMGM'de yayımlandı. @BAU_Pharmacy #durdagilab #drugdesign #Alzheimer @Bahcesehir
An eNBy who works with the binaries (of the living) here ✌🏼 #LGBTQinSTEM #DrugDesign #Bioinformatics
Our paper on new hERG blocker models using ML-based classifiers has been accepted at the ACS Omega #durdagilab #drugdesign #hERG
Baylor College of Medicine and Site Tx, Inc. are collaborating to advance #drugDesign @DamianYoung29 M. Matzuk @bcmhouston blogs.bcm.edu/2025/09/25/fro…
Today, I gave a talk at the National Biophysics congress in İzmir Institute of Technology #drugdesign #biophysics #durdagilab
Today, I’ll give a talk about a new approach in virtual screening which is developed by our research group at Multidisciplinary Cancer Research Congress, İstinye University #drugdesign #durdagilab
#ChemMedChem #OnTheCover Structure-Based #DrugDesign of Novel Heterocyclic Scaffolds as TgCDPK1 Inhibitors (ChemMedChem 18/2025) (James W. Janetka and co-workers) onlinelibrary.wiley.com/doi/10.1002/cm… • onlinelibrary.wiley.com/doi/10.1002/cm…
Exciting news for the molecular dynamics community! 🧬 The Molecular Dynamics Data Bank aka MDDB is going to launch. 🚀 Here's what you need to know about this new European repository for molecular dynamics simulations data👇 #structuralbiology #moleculardynaimcs #drugdesign
At #EuChemSCompChem2023 @kmerz1 delivers an exciting talk on Molecular Gas Phase Conformational Ensembles - so important indeed for #drugdesign
Check out our new cover in the current issue of @JCIM_JCTC! #GenerativeAI #DrugDesign Structure-Based Drug Design with a Deep Hierarchical Generative Model pubs.acs.org/doi/10.1021/ac… code: github.com/jssweller/Drug…
This week on the Clinician - Scientist series, we are discussing the all important #DrugDiscovery process. India has immense potential to develop proprietary drug better suited for our population LIVE on YouTube youtube.com/watch?v=hhPzcL… #DrugDiscovery #DrugDesign #SmallMolecules
ETH Zurich Chemists unveil #DRAGONFLY, a novel interactome-based deep learning approach for de novo #drugdesign, generating tailored drug-like molecules with desired bioactivity and synthesizability. Quick Read: cbirt.net/eth-zurich-che… #Bioinformatics #AI #ML #LLM #sciencenews
Pleased to share that I have been appointed as Associate Editor for @ACS_Omega. Hope to help promoting the Journal to the #CADD #DrugDesign and #AI communities, in the world and most in Latin America! Come and publish with us!!!!
The Jin-Quan Yu Lab has developed a method to create ‘gamma chiral centers’ on carboxylic acids, published in @ScienceMagazine. This could revolutionize #drugdesign by enhancing the ability to build complex pharmaceutical #molecules. More: ow.ly/GRBS50RNTWh
Quantum Hacks for Better Drugs: #Quantum_Tunneling isn’t just for physics—it’s key to understanding enzyme reactions! Imagine precision-designed drugs tailored by quantum mechanics. The future of medicine is Quantum. #QuantumBiology #DrugDesign
🌿 Natural product drug discovery and drug design: two approaches shaping new pharmaceutical development 🔗academic.oup.com/ndt/advance-ar… 🔔 #INPST #DrugDiscovery #DrugDesign #Pharmaceuticals
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