Drug Discovery RSS Feeds

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elicit.com1mo ago

Penn Researchers Develop AI Framework That Designs Peptides to Activate or Block Specific Biological Targets

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engineering.upenn.edu1mo ago

Rational peptide-guided discovery of PAK1 allosteric activators shows therapeutic potential for hypertrophic cardiomyopathy

Kinase activators are difficult to develop despite their therapeutic promise. Here, we report the discovery of small-molecule p21-activated kinase 1 (PAK1) allosteric activators using a rational, peptide-guided strategy targeting the autoinhibitory mechan

Newssciencehealthdrug discoverycell.com·Science·1mo ago·115 min read

Quantum Computing Applied to Protein–Ligand Binding Energy Calculations for Drug Discovery

We analyzed the performance of quantum algorithms for studying protein–ligand systems, using both simulator and real hardware. To achieve this, we selected thrombin and 5 ligands as a test case and...

Newstechnologysciencequantum computing

pubs.acs.org·Science·1mo ago·49 min read

Novartis Postdoctoral Fellowship: Machine Learning for Chemical Synthesis and Reactivity Prediction

We are excited to invite applications for the Novartis Biomedical Research Postdoctoral Fellowship Program; a unique training opportunity designed for exceptional early-career scientists eager to tackle some of the most challenging problems in biomedical

educationsciencemachine learning

novartis.com·Science·1mo ago·4 min read

Deep-learning platform GPS enables de novo drug discovery by predicting transcriptomic perturbations from chemical structures

cell.com1mo ago

Computational Biologist Eleanor Howe Delivers Candid Assessment of Drug Discovery's Digital Transformation at Bio-IT World 2026

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bio-itworld.com1mo ago

AI Drug Discovery Stalled by Lack of Trustworthy Biological Data

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the-scientist.com1mo ago

DeepCYP: A deep learning web server for predicting CYP450 drug metabolism pathways

doi.org1mo ago

How LLMs Are Transforming Preclinical Drug Discovery Data Access

martinfowler.com1mo ago

PEP-EDIT: A Web Server for 3D Generation and Interactive Editing of Complex Peptide Structures

Newssciencehealthartificial intelligence

doi.org2mo ago

Deep learning model identifies novel antibiotic compounds effective against drug-resistant gonorrhea

Neisseria gonorrhoeae is a common Gram-negative pathogen with increasing resistance to all recommended antibiotics. There is a critical need to improve the efficiency of the antibiotic hit discover...

science.org·Science·2mo ago·11 min read

Compound UNI418 disrupts cancer DNA repair to overcome drug resistance

Newssciencehealth

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sciencedaily.com2mo ago

SynCraft web server integrates retrosynthesis and ADMET evaluation for streamlined drug design

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doi.org2mo ago

Review of C2026: Grand Challenges for Predictive Modeling in Drug Discovery

Reviewtechnologyscience

fbdd-lit.blogspot.com2mo ago

Google DeepMind CEO claims goal of "solving all disease" through AI drug discovery