#drugdesign search results

🔗 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

CSB_Journal's tweet image. 🔗 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

qubit_pharma's tweet image. 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

NMRspectroscopy's tweet image. #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…

BCMFromtheLabs's tweet image. 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…

jssweller's tweet image. 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…

ChemEurope's tweet image. #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

CbirtDirector's tweet image. 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

QuantumBioDAO's tweet image. 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

gvraoaig's tweet image. 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

scrippsresearch's tweet image. 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

serdar_durdagi's tweet image. 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. 👨‍🔬👏🎉

AiddOne's tweet image. 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…

BCMFromtheLabs's tweet image. 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…

RoyalVoxPost's tweet image. #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

Evotec's tweet image. 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

NImmunology's tweet image. 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
NImmunology's tweet image. 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
NImmunology's tweet image. 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
NImmunology's tweet image. 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


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

alex_JMeyers's tweet image. 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


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…

RoyalVoxPost's tweet image. #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

BioExcelCoE's tweet image. 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

⚗️ Ideal für Forschungsprojekte: SMILES eingeben, Strukturen sehen, Eigenschaften analysieren – alles online. ➡ biochemcalc.com/sfd_m?referrer…. #ResearchTools #ChemInformatics #DrugDesign

BioChemCalc's tweet image. ⚗️ 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

CSB_Journal's tweet image. 🔗 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

NMRspectroscopy's tweet image. #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

qubit_pharma's tweet image. 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

serdar_durdagi's tweet image. 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

serdar_durdagi's tweet image. Alzheimer'a karşı ilaç yeniden konumlandırma çalışmamız JMGM'de yayımlandı. @BAU_Pharmacy #durdagilab #drugdesign #Alzheimer @Bahcesehir

Our paper on new hERG blocker models using ML-based classifiers has been accepted at the ACS Omega #durdagilab #drugdesign #hERG

serdar_durdagi's tweet image. 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…

BCMFromtheLabs's tweet image. 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

serdar_durdagi's tweet image. 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

serdar_durdagi's tweet image. 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…

ChemEurope's tweet image. #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

compchemm's tweet image. 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

zoecournia's tweet image. At #EuChemSCompChem2023 @kmerz1 delivers an exciting talk on Molecular Gas Phase Conformational Ensembles - so important indeed for #drugdesign
zoecournia's tweet image. At #EuChemSCompChem2023 @kmerz1 delivers an exciting talk on Molecular Gas Phase Conformational Ensembles - so important indeed for #drugdesign
zoecournia's tweet image. 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…

jssweller's tweet image. 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

gvraoaig's tweet image. 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

CbirtDirector's tweet image. 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!!!!

carolinahortago's tweet image. 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

scrippsresearch's tweet image. 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

QuantumBioDAO's tweet image. 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

_INPST's tweet image. 🌿 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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