| Study Period | 2021 - 2030 |
| Market Size (2025) | USD 0.58 Billion |
| Market Size (2030) | USD 1.13 Billion |
| CAGR (2025 - 2030) | 14.13 % |
| Fastest Growing Market | Asia Pacific |
| Largest Market | North America |
| Market Concentration | Medium |
Major Players
*Disclaimer: Major Players sorted in no particular order |
In Silico Protein Design Market Analysis
The In Silico Protein Design Market size is estimated at USD 0.58 billion in 2025, and is expected to reach USD 1.13 billion by 2030, at a CAGR of 14.13% during the forecast period (2025-2030).
Key drivers of the in silico protein design market include advancements in computational biology and artificial intelligence (AI), growing applications in drug discovery and development, and the rising trend of personalized medicine.
In silico protein design plays a crucial role in drug discovery and development, especially for chronic conditions like cardiovascular diseases, cancer, diabetes, and autoimmune disorders. For example, an article in the International Journal of Molecular Sciences in August 2024 highlighted the extensive use of target-based virtual screening in drug development. Techniques like docking and molecular dynamics were employed to pinpoint therapeutic targets such as GLUT4, DPP-IV, and PPARγ for diabetes mellitus (DM) treatment. Furthermore, in January 2023, Insilico Medicine shared positive topline results from the phase-1 clinical trial of INS018_055, emphasizing its safety, tolerability, and pharmacokinetics (PK). Discovered via Insilico's AI platform, this drug shows promise as a first-in-class treatment for idiopathic pulmonary fibrosis (IPF). Given these advancements, the growing reliance on in silico protein design in drug discovery is set to propel market growth.
Additionally, the integration of AI and machine learning (ML) in protein design is refining predictions of protein structures, functions, and interactions. As these technologies advance, their adoption is expected to surge, further fueling market growth. For instance, a March 2024 study in Nature Communications Journal highlighted the transformative role of ML in computational protein design, enabling the engineering of proteins for biomedical applications. The screening process often involves two filtering stages, including computational (in silico) methods, leading to multiple design and screening cycles. In another instance, researchers from Stanford University, the University of Toronto, and Insilico Medicine, in January 2023, leveraged AlphaFold to identify a treatment for a new target associated with hepatocellular carcinoma, the predominant primary liver cancer. AlphaFold, developed by Alphabet’s DeepMind, achieved a milestone by predicting protein structures for the entire human genome, underscoring significant strides in AI and structural biology. Thus, the adoption of advanced technologies in in-silico protein design is poised to bolster market growth.
In conclusion, the surging demand for biopharmaceuticals, coupled with technological strides in computational biology and AI, are primary catalysts for market growth. Yet, challenges like high computational costs and occasional inaccuracies in protein modeling could temper this growth trajectory.
In Silico Protein Design Market Trends
The Molecular Modelling Segment is Expected to Hold a Significant Market Share in the In Silico Protein Design Over the Forecast Period
Molecular modeling plays a pivotal role in in-silico protein design. It empowers researchers to visualize and modify protein structures, simulate interactions, and predict behaviors. This capability accelerates the development of proteins for pharmaceutical applications. Given the importance of molecular modeling in understanding protein structures and functions, its adoption is anticipated to surge, propelling segment growth.
Several factors drive the growth of the molecular modeling segment, including the growing use of molecular modeling in protein research and development, its expanding applications in pharmaceutical and biomedical research, and ongoing technological advancements.
The growing adoption of molecular modeling techniques for protein development is expected to drive segment growth. For instance, a September 2024 study in Scientific Reports showcased researchers crafting a peptide bioreceptor for cortisol via molecular modeling. They pinpointed candidate proteins from databases using molecular docking, ranking them by binding affinities through automated scoring simulations with AutoDock Vina. These candidates were then rigorously validated with atomistic steered molecular dynamics simulations, employing umbrella sampling for mean force calculations, all done using GROMACS version 2022.6. Hence, the integration of molecular modeling tools like AutoDock and GROMACS is set to bolster segment growth.
As molecular modeling finds increasing applications in pharmaceuticals and other industries, market growth is on the horizon. An article in the January 2024 issue of the Journal of Pharmaceutical and Biomedical Analysis highlighted the pivotal role of molecular modeling in areas like pharmaceutical and biomedical research, medicinal chemistry, and enantio-separation science. Key applications of molecular modeling include drug discovery, ligand binding, and exploring protein conformation and function. Given these significant applications, especially in determining protein functions for pharmaceutical and biomedical purposes, we anticipate a boost in segment growth.
Furthermore, advancements in molecular modeling technology are set to enhance its adoption, further driving segment growth. For example, in April 2024, researchers at Insilico Medicine unveiled a groundbreaking adversarial generative framework, COSMIC, designed for modeling molecular conformation space. This innovative framework sheds light on the three-dimensional positioning and activity of molecules, significantly aiding drug design decisions. Hence, with such advancements, we foresee a continued surge in segment growth.
In conclusion, factors like the expanding use of molecular modeling in protein R&D, its growing applications in pharmaceutical and biomedical fields, and ongoing technological advancements are all poised to drive segment growth.
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North America is Expected to Hold the Largest Share in the In Silico Protein Design Market Over the Forecast Period
Advancements in computational tools and artificial intelligence (AI), increased funding for biotechnology and biopharmaceutical R&D, and a growing demand for biopharmaceuticals and personalized medicine are set to drive the North American in silico protein design market during the forecast period.
North America's embrace of advanced AI and machine learning (ML) tools, which enhance protein structure prediction and molecular modeling, is poised to bolster market growth. For example, in May 2024, Google DeepMind unveiled an AI-driven software that empowers scientists to predict protein functions by swiftly mapping virtually any protein interactions. Such technological strides in in-silico protein design are expected to propel North America's market growth.
Moreover, increased funding from market players for drug discovery and development through computational methods is likely to spur regional market growth. As an illustration, in September 2024, Superluminal Medicines, Inc. raised USD 120 million in a Series A funding round, spearheaded by RA Capital Management, with notable contributions from Insight Partners, NVentures, Catalio Capital Management, Eli Lilly and Company, Gaingels, and Cooley LLP. This capital infusion aims to advance Superluminal's proprietary platform, which integrates in silico pharmacokinetics and toxicology predictions, streamlining drug discovery for small molecules targeting G protein-coupled receptors (GPCRs). Such endeavors by market players are set to amplify the region's market growth.
In conclusion, with technological advancements and proactive initiatives from market players, North America's in silico protein design market is poised for significant growth during the forecast period.
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In Silico Protein Design Industry Overview
The in silico protein design market exhibits moderate fragmentation, driven by the presence of several dominant players. Key players, including biotech firms, academic institutions, and pharmaceutical companies, are increasingly forming strategic alliances and collaborations to leverage their combined expertise and resources. Notable participants in this arena encompass Schrödinger Inc., Insilico Medicine, and Biovia (a division of Dassault Systèmes), among others.
In Silico Protein Design Market Leaders
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Schrödinger, Inc.
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Biovia (Dassault Systèmes)
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Insilico Medicine
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Arzeda
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Chemical Computing Group ULC
- *Disclaimer: Major Players sorted in no particular order
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In Silico Protein Design Market News
- August 2024: ImmunoPrecise Antibodies Ltd developed in silico antibodies for a challenging tumor protein using its patented LENSai technology. The successful application of LENSai technology, along with laboratory validation of these novel antibodies, paves the way for faster development of precision-targeted treatments. This advancement holds promise for more effective cancer therapies, potentially with fewer side effects.
- January 2024: Cresset unveiled the newest iteration of its Flare drug discovery platform in the UK, aiming to bolster both ligand and structure-based drug design while refining the lead optimization process during the initial phases of drug discovery. With the Flare Free Energy Perturbation (FEP) method, users can assess a vast array of molecules in silico, prioritizing those for laboratory experiments. This approach minimizes the number of compounds that require synthesis and testing, streamlining the path to desired results.
In Silico Protein Design Industry Segmentation
In silico protein design harnesses computational techniques and algorithms to engineer new proteins or modify existing ones for specific applications. This method leverages computer simulations, artificial intelligence (AI), and molecular modeling to predict protein folding, interactions with other molecules, and their overall functionality.
The in silico protein design market is categorized by technology type, application, end-user, and geography. The technology types include molecular modeling, AI and machine learning algorithms, homology modeling, and other emerging technologies. Applications span drug discovery and development, enzyme engineering, biomarker discovery, vaccinology, and academic research. End-users comprise pharmaceutical and biotechnology firms, academic institutions, and other entities. Geographically, the market covers North America, Europe, Asia-Pacific, the Middle East and Africa, and South America, with market sizes expressed in USD for each segment.
| By Technology Type | Molecular Modelling | ||
| Artificial Intelligence and Machine Learning Algorithms | |||
| Homology Modelling | |||
| Other Technology Types(Threading and Ab Initio Methods, Others) | |||
| By Application | Drug Discovery and Development | ||
| Enzyme Engineering | |||
| Biomarker Discovery | |||
| Vaccinology | |||
| Academic Research | |||
| By End-User | Pharmaceutical and Biotechnology Companies | ||
| Academic and Research Institutes | |||
| Other End-User (Contract Research Organizations and Others) | |||
| Geography | North America | United States | |
| Canada | |||
| Mexico | |||
| Europe | Germany | ||
| United Kingdom | |||
| France | |||
| Italy | |||
| Spain | |||
| Rest of Europe | |||
| Asia-Pacific | China | ||
| Japan | |||
| India | |||
| Australia | |||
| South Korea | |||
| Rest of Asia-Pacific | |||
| Middle East and Africa | GCC | ||
| South Africa | |||
| Rest of Middle East and Africa | |||
| South America | Brazil | ||
| Argentina | |||
| Rest of South America | |||
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In Silico Protein Design Market Research FAQs
How big is the In Silico Protein Design Market?
The In Silico Protein Design Market size is expected to reach USD 0.58 billion in 2025 and grow at a CAGR of 14.13% to reach USD 1.13 billion by 2030.
What is the current In Silico Protein Design Market size?
In 2025, the In Silico Protein Design Market size is expected to reach USD 0.58 billion.
Who are the key players in In Silico Protein Design Market?
Schrödinger, Inc., Biovia (Dassault Systèmes), Insilico Medicine, Arzeda and Chemical Computing Group ULC are the major companies operating in the In Silico Protein Design Market.
Which is the fastest growing region in In Silico Protein Design Market?
Asia Pacific is estimated to grow at the highest CAGR over the forecast period (2025-2030).
Which region has the biggest share in In Silico Protein Design Market?
In 2025, the North America accounts for the largest market share in In Silico Protein Design Market.
What years does this In Silico Protein Design Market cover, and what was the market size in 2024?
In 2024, the In Silico Protein Design Market size was estimated at USD 0.50 billion. The report covers the In Silico Protein Design Market historical market size for years: 2021, 2022, 2023 and 2024. The report also forecasts the In Silico Protein Design Market size for years: 2025, 2026, 2027, 2028, 2029 and 2030.
In Silico Protein Design Industry Report
Statistics for the 2025 In Silico Protein Design market share, size and revenue growth rate, created by Mordor Intelligence™ Industry Reports. In Silico Protein Design analysis includes a market forecast outlook for 2025 to 2030 and historical overview. Get a sample of this industry analysis as a free report PDF download.
