Molecular Dynamics Simulation Software Market size was valued at USD 473.71 million in 2024 and is expected to reach USD 1.57 billion by 2037, registering around 9.7% CAGR during the forecast period i.e., between 2025-2037. In the year 2025, the industry size of molecular dynamics simulation software is assessed at USD 550.08 million.
The growth of the market can be attributed to growth in development of drug all around the globe. The prevalence of different disease including cardiovascular and CNS-related disorders is growing rapidly. According to the World Health Organization, 17.9 million deaths worldwide in 2019 were attributable to CVDs, or 32% of all fatalities. Heart attack and stroke deaths accounted for 85% of these fatalities. Hence the need for development of best medications, and need to improve the effectiveness and transparency of drug development is driving the growth of drug development market. This growth is hence further anticipated to boost the market for molecular dynamics simulation software.
Additionally, growing government recognition of the importance of drug discovery and increased funding for global research initiatives, notably as a result of the COVID-19 pandemic, are predicted to be major factors in market growth. For instance, Drug Development Hackathon 2020 (DDH2020), a pioneering national initiative to support the drug discovery process, was introduced by the Indian government. The first of its kind in the country, this hackathon brought together experts, academics, researchers, and students from a wide range of disciplines, including computer science, chemistry, pharmacy, medical sciences, basic sciences, and biotechnology. Additionally, machine learning has fast become an essential tool for managing and understanding enormous amounts of data across many scientific disciplines. Moreover, ML models support precise forecasting of complex material qualities, pharmaceutical development & manufacture, biosimilars, and other factors. The modelling and optimization of materials for heat treatment, resistance, microstructure models, and more could benefit from using data from earlier experimental and theoretical investigations. Therefore, it is anticipated that the market would experience profitable prospects as a result of the expanding potential of machine learning models in molecular dynamics simulations.
Growth Drivers
Challenges
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Base Year |
2024 |
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Forecast Year |
2025-2037 |
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CAGR |
9.7% |
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Base Year Market Size (2024) |
USD 473.71 million |
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Forecast Year Market Size (2037) |
USD 1.57 billion |
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Regional Scope |
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The global molecular dynamics simulation software market is segmented and analyzed for demand and supply by end user into pharmaceutical labs, research institutes, academic users, and others. Out of which, the pharmaceutical labs segment is anticipated to grow at a largest CAGR of 10.65% over the forecast period, backed by growing demand for MD stimulation software in the pharmaceutical industry. Further, a sizable number of people have been diagnosed with chronic long-term diseases such as diabetes, Alzheimer's, and cancer all over the globe. For instance, according to the World Health Organization, a total of 422 million people worldwide have diabetes, the majority of whom reside in low- and middle-income nations. Diabetes is directly responsible for 1.5 million fatalities annually. As a result, there is now a greater need for drug research efforts. Further, this growth in drug research is higher in pharmaceutical labs since the investment made on R&D by pharmaceutical companies are higher.
The global molecular dynamics simulation software market is also segmented and analyzed for demand and supply by application into chemical research, medical research, material science research, and biophysics research. Amongst these segments, the medical research segment is anticipated to generate the largest revenue by the end of 2037. The growth of the segment can be attributed to rising use of MD simulation for medical research. In the field of biomedicine, molecular dynamics (MD) simulation has been extensively utilized to explore the conformational shift of proteins brought on by mutation or ligand binding/unbinding. Further, it offers several viewpoints that are challenging to discover in conventional biochemical or pathological research, such as specific impacts of mutations on the atomic level of protein structure and protein-protein/ligand interaction. Additionally, extensive molecular dynamics (MD) is becoming more and more accessible, and it is expected to have an effect on quick drug discovery initiatives. Hence owing to this the use of MD simulation in medical research is growing. However, material science research segment is anticipated to grow at a highest CAGR of 11.30% over the forecast period.
Our in-depth analysis of the global molecular dynamics simulation software market includes the following segments:
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By Type |
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By Application |
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By End User |
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North America Market Forecast
The North America industry is expected to account for largest revenue share of 47% by 2037. The growth of the market in this region can be attributed to a large-scale adoption of cutting-edge technology and an increase in private funding for molecular dynamics research. Additionally, there has been growing investment made on R&D by pharmaceutical sector in North America. In the last two decades, there has been a surge in both R&D spending and the release of new medications in this region. The pharmaceutical sector invested USD 83 billion in research and development in 2019. That sum is roughly ten times what the sector spent annually in the 1980s after accounting for inflation. Also, in comparison to the prior decade, the number of new pharmaceuticals licensed for sale increased by 60% between 2010 and 2019, reaching a peak of 59 new drugs approved in 2018. Hence, this factor is estimated to boost the growth of the market in this region. However, the market in Europe region is anticipated to grow at a highest CAGR of 10.54% over the forecast period.
Avery Design Systems, Inc., the top provider of simulation-independent verification IP, has signed a contract to be acquired by Siemens Digital Industries Software. Siemens' industry-leading suite of electronic design automation (EDA) integrated circuit (IC) verification services would now include Avery's technology as part of the Siemens Xcelerator portfolio.
Together with NuoDB, Dassault Systèmes announced that Dassault Systèmes, which already owned a 16% ownership position, is buying the remaining NuoDB equity. NuoDB, a cloud-native distributed SQL database with headquarters in Cambridge, Massachusetts, was founded in 2010 and offers on-demand scalability, continuous availability, and transactional consistency, and is designed for mission-critical applications.
Author Credits: Abhishek Verma
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