Global Structural Biology and Molecular Modeling Techniques Market Growth, Share, Size, Trends and Forecast (2025 - 2031)

By Tools;

SaaS & Standalone Modeling - [Homology Modeling, Threading, Molecular Dynamics, and Others], Visualization & Analysis, and Others

By Application;

Drug Development, Drug Discovery, and Others

By Geography;

North America, Europe, Asia Pacific, Middle East & Africa, and Latin America - Report Timeline (2021 - 2031)
Report ID: Rn110515662 Published Date: June, 2025 Updated Date: July, 2025

Structural Biology and Molecular Modeling Techniques Market Overview

Structural Biology and Molecular Modeling Techniques Market (USD Million)

Structural Biology and Molecular Modeling Techniques Market was valued at USD 11,107.58 million in the year 2024. The size of this market is expected to increase to USD 35,741.27 million by the year 2031, while growing at a Compounded Annual Growth Rate (CAGR) of 18.2%.


Global Structural Biology and Molecular Modeling Techniques Market Growth, Share, Size, Trends and Forecast

*Market size in USD million

CAGR 18.2 %


Study Period2025 - 2031
Base Year2024
CAGR (%)18.2 %
Market Size (2024)USD 11,107.58 Million
Market Size (2031)USD 35,741.27 Million
Market ConcentrationLow
Report Pages316
11,107.58
2024
35,741.27
2031

Major Players

  • Acellera Ltd
  • Agile Molecule
  • Agilent Technologies Inc.
  • Biomax Informatics AG
  • Bruker Daltonics Inc.
  • Chemical Computing Group
  • Dassault Systèmes
  • Illumina
  • Thermo Fisher Scientific

Market Concentration

Consolidated - Market dominated by 1 - 5 major players

Global Structural Biology and Molecular Modeling Techniques Market

Fragmented - Highly competitive market without dominant players


The Structural Biology and Molecular Modeling Techniques Market is experiencing significant growth due to the integration of advanced biotechnological tools in drug discovery and protein research. Over 64% of pharmaceutical companies are adopting these techniques to improve molecular-level understanding of disease mechanisms. The increased demand for precision medicine and targeted therapies has driven extensive adoption of these methods in recent years, offering expansion opportunities across research institutions and biotech firms.

Innovation and Research Driving Adoption
With over 58% of research laboratories leveraging molecular modeling software and simulation platforms, there is a visible shift towards digital biology approaches. These tools help accelerate research timelines, reduce experimental costs, and improve structural predictions. Innovation in AI-powered algorithms for protein folding and modeling is further boosting the scope of this market, allowing for strategic collaboration between software developers and life sciences firms.

Partnerships Enhancing Computational Efficiency
Around 62% of institutions are engaging in partnerships and mergers to enhance computational capabilities and expand access to molecular modeling databases. By pooling resources and technologies, organizations can achieve more accurate modeling outputs and scale their structural biology operations. Such collaborations not only strengthen R&D pipelines but also improve overall modeling efficiency, leading to sustained market growth.

Opportunities for Expansion in Drug Development
The increasing utilization of molecular modeling techniques in drug development—currently at over 60% adoption—presents strong opportunities for market expansion. These techniques are crucial in identifying lead compounds, predicting interactions, and minimizing trial failures. As pharmaceutical companies invest in next-gen drug platforms, the Structural Biology and Molecular Modeling Techniques Market is expected to see rapid growth, driven by innovation, strategies, and long-term investments in digital biology.

  1. Introduction
    1. Research Objectives and Assumptions
    2. Research Methodology
    3. Abbreviations
  2. Market Definition & Study Scope
  3. Executive Summary
    1. Market Snapshot, By Tools
    2. Market Snapshot, By Application
    3. Market Snapshot, By Region
  4. Structural Biology and Molecular Modeling Techniques Market Dynamics
    1. Drivers, Restraints and Opportunities
      1. Drivers
        1. Research and Development (R&D) Investments
        2. Pharmaceutical and Biotechnology Innovations
        3. Advanced Technological Infrastructure
        4. Government Funding and Grants
      2. Restraints
        1. High Cost of Equipment and Software
        2. Complexity of Data Interpretation
        3. Limited Access to Advanced Technologies
        4. Challenges in Experimental Validation
      3. Opportunities
        1. Personalized Medicine
        2. Computational Power
        3. Biopharmaceutical R&D
        4. Precision Medicine
    2. PEST Analysis
      1. Political Analysis
      2. Economic Analysis
      3. Social Analysis
      4. Technological Analysis
    3. Porter's Analysis
      1. Bargaining Power of Suppliers
      2. Bargaining Power of Buyers
      3. Threat of Substitutes
      4. Threat of New Entrants
      5. Competitive Rivalry
  5. Market Segmentation
    1. Structural Biology and Molecular Modeling Techniques Market, By Tools, 2021 - 2031 (USD Million)
      1. SaaS and Standalone Modeling
        1. Homology Modeling
        2. Threading
        3. Molecular Dynamics
        4. Others
      2. Visualization and Analysis
      3. Others
    2. Structural Biology and Molecular Modeling Techniques Market, By Application, 2021 - 2031 (USD Million)
      1. Drug Development
      2. Drug Discovery
      3. Others
    3. Structural Biology and Molecular Modeling Techniques Market, By Geography, 2021 - 2031 (USD Million)
      1. North America
        1. United States
        2. Canada
      2. Europe
        1. Germany
        2. United Kingdom
        3. France
        4. Italy
        5. Spain
        6. Nordic
        7. Benelux
        8. Rest of Europe
      3. Asia Pacific
        1. Japan
        2. China
        3. India
        4. Australia & New Zealand
        5. South Korea
        6. ASEAN (Association of South East Asian Countries)
        7. Rest of Asia Pacific
      4. Middle East & Africa
        1. GCC
        2. Israel
        3. South Africa
        4. Rest of Middle East & Africa
      5. Latin America
        1. Brazil
        2. Mexico
        3. Argentina
        4. Rest of Latin America
  6. Competitive Landscape
    1. Company Profiles
      1. Acellera Ltd
      2. Agile Molecule
      3. Agilent Technologies Inc.
      4. Biomax Informatics AG
      5. Bruker Daltonics Inc.
      6. Chemical Computing Group
      7. Dassault Systèmes
      8. Illumina
      9. Thermo Fisher Scientific
  7. Analyst Views
  8. Future Outlook of the Market