Designing better drugs with machine learning 💊 A new high-performance computer model from Los Alamos identified molecular properties that could guide the discovery of new types of antibiotics 👉 ow.ly/5hz150RQ04l
#MachineLearning #ArtificialIntelligence #DrugDesign
➡️We are rolling with a great second session of the Annual Institute of Molecular Genetics conference including talks by Hana Hanzlikova, Zdeněk Hodný, Petr Svoboda & Filip Šenigl. 🔬🧬🐌🧪💊 #DNArepair #slug #RNA #hypermutation #drugdesign
The computational chemists at BioAscent have years of knowledge and success applying multiple in silico ligand-based and structure-based methodologies at all stages of the drug discovery workflow. Find out more: bit.ly/372bPC7
#DrugDesign #ComputationalChemistry
The Jin-Quan Yu Lab has developed a method to create ‘gamma chiral centers’ on carboxylic acids, published in Science Magazine. This could revolutionize #drugdesign by enhancing the ability to build complex pharmaceutical #molecules .
More: ow.ly/GRBS50RNTWh
Don’t miss Daniel Seeliger presenting at Drug Discovery Summit & Discovery Chemistry Europe today, to learn about our approach to encoding molecular design using generative design, cheminformatics, biophysics as well as active learning.
#AI #drugdesign #drugdiscovery
Outstanding, hard-to-synthesize small oxetane with well-defined multiplets, produced by the skilled chemists at Enamine Ltd 🇺🇦
#nmr #nmr chat #chemistry #spectroscopy #drugdiscovery #drugdesign
Ever wonder how #AI generates #images from text?
It uses #DiffusionModels ! Learn to apply same principles to generate #BiologicalSequences .
Scan QR or use redcap.link/Reg_DiffModels… to register for our nanocourse!
#DrugDesign #SingleCellData #Bioinformatics #ComputationalBiology
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
Last Saturday, Isaac Filella-Merce and Júlia Vilalta presented a #BojosPerLaSupercomputacio seminar (by Fundació Catalunya La Pedrera) exploring #ProteinModelling #DrugDesign with both theoretical and practical insights. Their session was truly insightful and rewarding! 🧬💊
Check our new #QM -based #scoring function SQM2.20 - a universal yet computationally efficient physics-based method yielding reliable DFT quality #affinity predictions in minutes!
+ try our new high-quality #benchmark dataset.
nature.com/articles/s4146…
#compchem #drugdesign
AI drug discovery soars as Isomorphic Labs teams up with Eli Lilly & Novartis in a $3B pact to unlock new treatments
#drugdiscovery #biologicaldata #partnerships #technology #scientists #drugdevelopment #drugdesign #biomedicalresearch #datascience Isomorphic Labs
Access Thermo Fisher's latest issue of 'Structure of Life' to see the impact of structure-based #DrugDesign , including cryo-EM's vital role in the success of small molecule and biologics #DrugDiscovery programs since 2018: ter.li/zjlzrf bit.ly/42QDRcn
Happy to participate in this great initiative by Bioinfo4Women with our two researchers Júlia Vilalta Mor and Sonia Romero Téllez with their #drugdesign and #enzymeengineering projects👩💻🤝
Unlocking New Possibilities in #DrugDesign 💊💻
#DrugLLM , a few-shot molecule generation approach using open large language model. DrugLLM could significantly speed up drug discovery, leading to quicker cures. 🚀
#Bioinformatics #LLMs #AI #ScienceNews
cbirt.net/unlocking-new-…
Excited to present my poster (P-185) discussing novel drug targets in #multiplemyeloma at #EACR - #AACR - #IACR .
Huge thanks to my Supervisors Prof. Siobhan Glavey, Prof. Ann Hopkins and Funders Breakthrough Cancer Research for making this research possible.
#Drugdesign #kNOwMyeloma 🩸
🧲 ᗑ Multiplet of the week! Where do you think the small coupling ~1Hz is from?
•
Find this molecule at Enamine Ltd 🇺🇦 store new.enaminestore.com
Compound ID 🛒EN300-1946136
•
#nmr #nmr chat #chemistry #spectroscopy #organicchemistry #drugdiscovery #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
#enaminecompany Check out this outstanding small amine by Enamine Ltd 🇺🇦 ‘s chemists!
⁉️🧲Why cyclopropane protons are chemically inequivalent? Write your thoughts in the comments section 👇.
.
#drugdesign #drugdiscovery #pharma #nmr #nmr chat #chemistry #organicchemistry
Issue 2 of Thermo Fisher's Structure of Life magazine is out now!
Download to:
👀 See more with the Hydra Bio PFIB
💡 Learn how SEMC broadens access to #cryoEM
🧩 Understand the value of structure in rational #DrugDesign
And more! bit.ly/3SiYtFE
Check out our recently collaborative paper published in Biomed & Pharmacother. 174, 2024, 116524. doi.org/10.1016/j.biop…
#Drugdesign #pain #medchem
#antinociceptive #diabetes
