Traditional chemically synthesized drugs that target proteins, enzymes, and receptors. Still the backbone of the pharmaceutical industry, now increasingly designed with AI-driven approaches for improved selectivity and ADMET properties.
MIT's open-weight model matches AlphaFold3 on protein-ligand complexes while running on a single GPU. For computational chemistry teams, the implications for hit-to-lead timelines are significant — and immediate.
Apr 15, 2026 · 12 min read
The AI-designed PI3Kα inhibitor shows durable responses in HR+/HER2- breast cancer with mutant-selective specificity. A landmark for computationally designed oncology drugs.
Apr 14, 2026 · 6 min read
Clinical-stage Kailera aims to raise up to $533M on Nasdaq (ticker: KLRA), backed by four GLP-1-based candidates including a once-weekly injectable in Phase 3. The first obesity biotech IPO since Pfizer acquired Metsera for $10B signals renewed investor appetite for the $150B weight-loss market.
Apr 14, 2026 · 5 min read
Clarivate highlights orforglipron (oral GLP-1) and retatrutide (GLP-1/GIP/glucagon triple agonist) as defining candidates in an obesity market projected to reach $150B by 2035. The peptide revolution accelerates.
Apr 13, 2026 · 8 min read
The updated diffusion model achieves 58% top-1 success rate on PoseBusters, narrowing the gap with physics-based methods while maintaining speed advantages.
Apr 11, 2026 · 7 min read
The collaboration aims to run millisecond-scale MD simulations for thousands of compounds simultaneously, a potential inflection point for free energy perturbation workflows.
Apr 10, 2026 · 5 min read
The GENESIS-IPF trial delivers the first clinical proof-of-concept for a fully AI-discovered drug: rentosertib, a TNIK inhibitor designed by Insilico Medicine's Chemistry42 platform, demonstrates dose-dependent FVC improvement in idiopathic pulmonary fibrosis patients. Phase IIb is underway.
Apr 10, 2026 · 8 min read
First fully open-source model achieving AlphaFold3-level accuracy for joint structure prediction of proteins, nucleic acids, and small molecules.
Multi-modal foundation model for joint structure prediction of proteins, small molecules, DNA, RNA, and glycosylations. Performs well in single-sequence mode.
Joint structure prediction of proteins, DNA, RNA, small molecules, ions, and covalent modifications in a single diffusion-based model.
High-precision grid-based docking with hierarchical filtering. Glide WS (2025) explicitly models water molecules during docking.
Extension of ProteinMPNN that conditions sequence design on bound ligands, small molecules, metals, and nucleotides.
Flow-based generative model that creates novel small molecule ligands for a target binding pocket. Generates hundreds of candidates in minutes.