The Coordinated Action “Diagnostic, Therapeutic and Vaccine Viral Targets” 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 molecular design, prediction of protein variant effects and dynamics, and structural modelling of protein–protein interactions. The session will also take a critical perspective, addressing current limitations in #cheminformatics and practical considerations for researchers.

🚨 MARK YOUR CALENDAR 🚨
⚠️ AI for molecular discovery: From drug design to protein dynamics⚠️
April 15th 2026
12:30 - 14:00
Wednesday April 15th 2026, from 12:30 to 14:00 — online (Zoom)

Programme :

1️⃣ "AI for drug design" — Dragos Horvath, Strasbourg University
2️⃣ "Computational approaches for protein variant effect and motion prediction" — Elodie Laine, Sorbonne University
3️⃣ "Structural modelling and binding affinity prediction of the Human PDZ-PBM interactome" — Victor Reys, Utrecht University

➡️ Registration : https://services.hosting.augure.com/Response/c7juk/%7B6f9b7a92-f72c-4db8-9259-d92aaa0f0cc3%7D

Can anyone find me an estimate of how many preclinical drug development projects are ongoing in Europe?

Yes, it would be much easier to find information about clinical studies because they are registered. But a rough estimate will be fine here, I need it for a funding application.

#drugdevelopment #drugdesign #europe #academicChatter #AskFedi

Wes Roth (@WesRoth)

Isomorphic Labs가 차세대 약물 설계 엔진 'IsoDDE'를 공개함. IsoDDE는 AlphaFold 3보다 단백질-리간드 구조 예측 정확도를 두 배 이상 향상시켰다고 하며, AI 기반 약물 설계와 신약 발견 분야의 새로운 전기를 예고함.

https://x.com/WesRoth/status/2021539720899985589

#isomorphiclabs #isodde #drugdesign #proteinstructure

Demis Hassabis (@demishassabis)

Isomorphic Labs가 개발 중인 약물 설계 엔진이 주요 벤치마크에서 SOTA 성과를 갱신하며 정확도와 기능에서 큰 진전을 보였다고 발표한 내용으로, 팀(특히 @maxjaderberg)의 성과를 칭찬하고 있습니다.

https://x.com/demishassabis/status/2021223548744822972

#isomorphiclabs #drugdiscovery #drugdesign #ai #sota

New server, new #introduction

Hi, I'm Dave. I'm a Research #Scientist at a Research Institute in #London, #UK

I'm a #StructuralBiologist by training. I help run a group that studies #Kinase #signalling in human #health and #disease.

In my spare time I swear a lot, play #bass and walk #dogs.

I do #Crystallography #CryoEM #Biophysics #DrugDesign and #Glycobiology. #Science #Research

PKMYT1 is a promising target for #cancer #drug developmenent. While some inhibitors such as RP-6036 are available for some time, researchers from InSilico #Medicine have now introduced a novel #PROTAC degrader based on their computational design of a novel inhibitor. This study was now published in #Nature Communications (2025):
https://www.nature.com/articles/s41467-025-65796-8

#drugdesign #chemistry #MedicinalChemistry #research #science

🧬 How can new AI architectures accelerate the path from molecule to medicine?

🔗 MM-DRPNet: A multimodal dynamic radial partitioning network for enhanced protein–ligand binding affinity prediction. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.11.050

📚 CSBJ: https://www.csbj.org/

#StructuralBiology #ProteinLigandInteraction #DrugDesign #ComputationalChemistry #DrugDiscovery #ComputationalBiology #Bioinformatics #MachineLearning #ArtificialIntelligence

🧬 Can AI build peptides that tell your cells to fight back against oxidative stress?

🔗 RoseTTAFold diffusion-guided short peptide design: a case study of binders against Keap1/Nrf2. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.02.032

📚 CSBJ: https://www.csbj.org/

#StructuralBiology #PeptideTherapeutics #RoseTTAFold #ProteinEngineering #MolecularDynamics #AIinDrugDiscovery #AntioxidantResearch #DrugDesign #Bioinformatics #ComputationalBiology

"Mô hình AI NucleusDiff mới suppressed коллегиfeitos Julien heal, ngăn cản c COLUMNначальный এ কার Sofa atomic tr 충돌 (100% giảm) và tăng khả năng l Había 22.16% so với mô hình hiện tại. Ứng dụng vào thiết kế dược phẩm dựa trên cấu trúc, đây là bước tiến trongielleicht. Tags: #AI #drugdesign #machinelearning #pharmaceutical #NucleusDiff"

https://www.reddit.com/r/singularity/comments/1ocw4ne/manifoldconstrained_nucleuslevel_denoising/