Definitely listen to our CTO 💡 — we offer cost-effective solutions for tough biotech challenges. Working on early-stage drug discovery? We specialize in hit identification and hit-to-lead optimization. Reach out: [email protected] 🎯

Thanks for the shoutout! We're building biotech software that delivers faster drug discovery; at a fraction of the cost 💥 Making innovation more accessible for everyone! 🤩

Check out our latest review on modeling non-covalent interactions — a fundamental aspect of how we understand and predict protein–ligand binding at Klyne. This work underpins much of our ability to design better molecules through accurate interaction modeling. 📖 Read the full

WoW! Achievement unlocked -- Bryan Johnson just tweeted about our work! Glad you liked the paper!!! Check out Klyne we are trying to create accessible tools like these for any/everyone. FASTER DRUG DISCOVERY FOR ALL!! 😄

Check out anti-aging mystro Bryan Johnson highlighting a paper co-authored by our CTO Akshat Nigam 🙌 Generative tools are starting to deliver real-world drug leads — and this is just the beginning. The future of drug discovery is getting faster, smarter, and more accessible.

🚀 Exciting to see our collaboration with Cerebrum DAO featured on their latest podcast with our COO Luis Rios and Brian Magierski bio/acc! At Klyne, we were thrilled to support this initiative with our short simulation technique, enabling fast and accurate binding affinity calculations

New research alert: A team from the University of Geneva used MD simulations to uncover a cryptic pocket in KRAS Q61H — totally invisible in crystal structures. Exciting implications for those relying on static models in drug discovery. At KlyneAI, we're actively exploring how

🧬 New Preprint Spotlight 🧬 A simple AI ensemble that delivers powerful results for antibody design. biorxiv.org/content/10.110… We get really excited when we see work around generative design for protein sequences - something we do here at Klyne, along with designing small

🚀Moonshot spotlight: AI-powered age reversal is moving from science fiction to reality - and we're proud to be part of the breakthrough. David Sinclair recently shared an incredible update on his longevity research in his latest interview with Peter H. Diamandis, MD: "Imagine in 10

Boltz-2 on Novel Ligands for a Known Target At KlyneAI, we believe model performance should be evaluated under the toughest conditions - not just retrospective benchmarks. In this case study, we challenged Boltz-2 with a set of novel ligands against a well-characterized PDB

Evaluating AlphaFold3 Predictions of GPCR–Ligand Interactions Paper: nature.com/articles/s4140… A new study benchmarking AlphaFold3, the latest AI model from Google DeepMind, reveals both its promise and current limitations for drug discovery. While AlphaFold3 delivers impressive

Machine Learning Meets Non-Covalent Interactions We're proud to share that our own Akshat Nigam co-authored a major review recently published in Chemical Reviews, exploring how machine learning (ML) is revolutionizing the study of non-covalent interactions (NCIs). NCIs, like hydrogen

🔬 AI + Medicinal Chemistry: A Smarter Path to Drug Discovery Full paper here: biorxiv.org/content/10.110… Excited to spotlight new research from Ron Dror’s lab at Stanford University: MedSAGE, a purpose-built generative AI framework for de novo small-molecule design. Unlike

Machine Learning Meets Higher-Order Network Biology We’re excited about a new paper in Physical Review Research, authored by Charo del Genio, introducing a novel spectral method for community detection in hypergraphs —an approach designed to capture higher-order interactions

Enhancing Ligand Binding Predictions: The Power of Molecular Dynamics in Drug Discovery We get really excited by advancements in MD ranking here at Klyne because our mission is to deliver highly accurate, affordable virtual screening and early-stage lead optimization for

KlyneAI: Democratizing High‑Performance AI Drug Discovery In the past two months, Klyne has welcomed over 200 new followers to our brand journey and community. If you're among the newcomers - or just curious about what we do - here’s a look under the hood as we accelerate

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Why Simplicity Still Wins in Molecular Machine Learning: Highlights from the Largest Embedding Benchmark Yet Rull article here: arxiv.org/abs/2508.06199 In the rapidly evolving field of molecular machine learning, choosing the right features for representation learning remains

Have protein–ligand cofolding methods moved beyond memorization? It is well recognized in AI research that many models excel at memorizing patterns from training data, but struggle to generalize to truly novel cases. This limitation is especially consequential in drug discovery,

🚀 Sneak peek: our upcoming generative model for molecular design (preprint coming soon!) At Klyne, we’re building one of the most advanced platforms for hit-to-lead optimization. Our generative AI engine is designed to: 👉 Enhance binding affinity 👉 Optimize ADMET