Explore Companies in the Structural Biology and Molecular Modeling Market
Molecular Blueprints Fueling Drug Discovery
The structural biology and molecular modeling market is fueled by the growing demand for personalized medicines, advances in molecular modeling, and increasing R&D investments. It encompasses computational and experimental techniques used to determine and predict the 3D structures of biological macromolecules, such as proteins, nucleic acids, and complexes, and to simulate their interactions, dynamics, and functions.
These tools are crucial for understanding biological mechanisms, drug discovery, and rational drug design. Structural biology techniques such as X-ray crystallography, NMR spectroscopy, cryo-electron microscopy (cryo-EM), and computational molecular modeling (e.g., molecular dynamics, homology modeling, quantum mechanics/molecular mechanics hybrid modeling) help researchers visualize molecular structures, design targeted therapeutics, and predict binding affinities and biological activities.
Market Growth
The global structural biology and molecular modeling market size is calculated at USD 9.55 billion in 2025, grew to USD 11.03 billion in 2026, and is projected to reach around USD 40.4 billion by 2035. The market is expanding at a CAGR of 15.51% between 2026 and 2035.
Market Outlook
- Industry Growth Overview: The structural biology and molecular modeling market is expected to accelerate in the coming years, driven by the integration of AI and machine learning (ML) in molecular modeling, accelerating progress in drug discovery and precision medicine. With increasing awareness, researchers adopt a cryo-EM instrument for protein structure identification.
- Major Investors: Major venture capitalists and private equity firms provide funding to adopt advanced instruments to determine protein structures. Funding also enables companies to develop novel tools and software for protein structure prediction.
- Startup Ecosystem: The startup ecosystem is maturing, with increasing investments and the need for novel modeling software. Genesis Therapeutics, Iambic Therapeutics, and Evozyne are some of the startups related to structural biology and molecular modeling.
Recent Developments
- In June 2025, researchers from the Massachusetts Institute of Technology (MIT) announced the release of Boltz-2 to predict molecular binding affinity at high speed and accuracy, democratizing commercial drug discovery. The model was developed in collaboration with Recursion and is available for commercial drug developers.
- In March 2025, scientists from Purdue University and the Rosen Center for Advanced Computing launched Molecular Intelligence, a software company, to help researchers determine the 3D structures of biomolecules imaged with cryo-EM. The company offers proprietary software and modeling services.
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