ai-drug-design
(12)
Serge Messerlian
Serge Messerlian is the Chairman and CEO of Creyon Bio, a San Diego biotech using AI to design oligonucleotide medicines. A life-science operator with more than 25 years across oncology, hematology, immunology and rare disease, he has led Teon Therapeutics as CEO, run Janssen Oncology as President at Johnson & Johnson, and held senior roles at Actelion, Baxalta and Baxter International. He joined Creyon first as an investor and board member through DCVC Bio, then stepped in as Executive Chairman and Acting CEO in fall 2024 and took the full CEO title in April 2025 as the company prepares to enter the clinic in 2026.
Ensem Therapeutics
Ensem Therapeutics is a Waltham, Massachusetts clinical-stage biotech using its Kinetic Ensemble platform - a blend of AI/ML, molecular simulation, and experimental biophysics - to find cryptic and allosteric pockets in proteins that are otherwise considered difficult to drug. The company designs small-molecule precision medicines for cancer, with two lead programs: ETX-636, an allosteric pan-mutant-selective PI3Kalpha inhibitor and degrader for breast cancer (FDA Fast Track), and ETX-197/BG-68501, a selective CDK2 inhibitor partnered with BeiGene.
Creyon Bio
Creyon Bio is a San Diego biotech reinventing how RNA-targeted medicines are designed. Founded in 2019 by former Ionis Pharmaceuticals scientists, the company pairs machine learning with quantum-level molecular modeling in its NucleIQ platform - an AI-Powered Oligo Engineering Engine - to predict the safety, efficacy, and delivery of oligonucleotide-based medicines before they ever reach a lab bench. The goal: replace slow, expensive trial-and-error with computational design rules that make precision therapeutics engineerable 'on demand,' for both rare and common diseases across neuromuscular, CNS, and immunologic areas.
Axelyf
Axelyf is a Brookline, Massachusetts biotech (with an R&D subsidiary in Iceland) building next-generation lipid nanoparticle delivery systems for RNA medicines. Founded by former Moderna drug-delivery leaders, it pairs a proprietary AXL ionizable-lipid library with an AI model called ANNA to make RNA and gene-editing payloads reach the right tissue with higher potency and less toxicity. In mouse liver studies its AXL LNPs showed roughly 4-5x higher gene-editing efficiency than the LP-01 clinical benchmark at equivalent doses, without evidence of liver toxicity. The company closed $2.6M in seed funding in August 2025 to push its lead autoimmune program and lipid library toward preclinical and non-human-primate studies.
Insamo
Insamo is a Berkeley-based biotechnology company spun out of UC Berkeley that is building membrane-permeable, orally available macrocyclic peptides with antibody-like binding affinity. By pairing machine-learning-driven molecular design with ultra-high-throughput molecular biology and parallel synthetic chemistry, Insamo runs automated design-synthesize-test cycles that generate trillions of proprietary data points - aiming to turn today's injected biologics into pills and to hit drug targets long considered undruggable. The company launched publicly in February 2024 with a $12M seed round led by Playground Global, venBio, and Merck's MRL Ventures Fund.
Nassim Usman
Nassim Usman is an organic chemist turned biotech operator who runs Totus Medicines, an Emeryville, California company using a DNA-encoded covalent library platform (OmniDEL) paired with machine learning to build small-molecule drugs against targets long considered undruggable. He took the CEO chair in December 2023 alongside a $66 million Series B, and its lead drug, TOS-358, is the first covalent PI3K-alpha inhibitor in the clinic. Over three decades he has moved from bench chemistry on RNA and ribozymes to the top jobs at Sirna Therapeutics, Catalyst Biosciences, and Principia Biopharma, plus a stint as a venture investor at Morgenthaler Ventures.
Timothy Craven
Timothy Craven is the co-founder and CEO of Insamo, a Berkeley-based biotech using machine learning, ultra high-throughput biology, and parallel chemistry to design membrane-permeable, orally available macrocyclic peptides with antibody-like binding. A computational chemist trained in the Nobel-winning lab of David Baker, Craven started Insamo from a grad-school concept with $20,000 of his own money and grew it into a Berkeley-Sydney team backed by a $12M seed from Playground Global, venBio, and Merck's MRL Ventures Fund. His pitch is blunt: turn $30,000 injectable biologics into pills.
Vibrant Therapeutics
Vibrant Therapeutics (VibrantX) is a clinical-stage biotechnology company building intelligent, logic-gated antibody therapeutics that switch on only inside diseased tissue. By pairing computational protein design with high-throughput wet-lab validation across its BumbleBee, LogicBee and NeuroBee platforms, Vibrant develops conditionally activated, multi-specific antibody prodrugs for oncology, autoimmune, inflammatory and neurological diseases. Its lead program, VIB305, is a logic-gated masked T-cell engager for EGFR-positive solid tumors that has received FDA IND acceptance.
Totus Medicines
Totus Medicines is a clinical-stage precision medicines company in Emeryville, California, building covalent small-molecule drugs against historically undruggable targets. Its AI-powered OmniDEL platform screens billions of DNA-encoded covalent candidates against thousands of targets inside living cells, surfacing molecules that older methods miss. Its lead program, TOS-358, is the first and only covalent PI3Ka inhibitor in clinical development, showing class-leading tolerability and strong disease control in breast, endometrial, and head & neck cancers.
Fathom Therapeutics
Fathom Therapeutics (formerly Atommap) is a New York and Boston based biotech building Microcosmos, a drug-design engine that fuses quantum chemistry and AI to simulate how proteins actually move inside living cells. By modeling motion instead of static snapshots - reportedly up to 10,000x faster than conventional simulation - the company hunts for the fleeting binding pockets that make 'undruggable' targets druggable, then designs small molecules, degraders, and molecular glues against them. In April 2026 it raised a $47M oversubscribed Series A led by Sutter Hill Ventures.
Huafeng Xu
Huafeng Xu is the founder and CEO of Fathom Therapeutics (formerly AtomMap), a New York drug-design company that simulates protein motion at atomic resolution to design small molecules that work inside living cells. A computational chemist with 25+ years and 10,000+ citations, Xu spent 12 years at D. E. Shaw Research building the free-energy and molecular-dynamics methods now standard across pharma, then served as CTO of Silicon Therapeutics and Roivant Discovery before launching his own company. In April 2026 Fathom closed an oversubscribed $47M Series A led by Sutter Hill Ventures to scale its Microcosmos engine.
Mathai Mammen
Mathai Mammen is the Chairman, CEO and President of Parabilis Medicines (formerly FogPharma), a Cambridge biotech going after cancer targets long written off as undruggable. A trained physician-chemist who co-founded Theravance out of grad school and later ran R&D at Merck and Johnson & Johnson, he has had a hand in the discovery or development of roughly 19 approved medicines. At Parabilis he is betting on Helicon peptides - engineered molecules that slip inside cells to hit protein-protein interfaces small molecules and antibodies cannot reach.