Miniproteins Design

Fig 1: Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis

Miniproteins are small peptides that are typically composed of less than 20-25 amino acids. These peptides are smaller than traditional proteins but still retain some of the functional properties that larger proteins possess. Miniproteins often have specific structural motifs or functional domains that allow them to perform various biological roles. These microproteins can act as signaling molecules, transcriptional regulators, or interact with other proteins to modulate their function. Miniproteins also have potential applications in biotechnology and medicine. Welcome to CD ComputaBio - your partner in innovative miniproteins design powered by cutting-edge AI technology. Our AI-aided miniproteins design service is at the forefront of molecular design, providing tailored solutions for a wide range of applications. With our expertise, advanced computational methods, and dedication to quality, we deliver precise and efficient miniprotein design for your specific needs.

Our Services

Fig 2: Our services of miniproteins design

Backbone Design of Miniproteins

By integrating client-defined structural constraints, physicochemical properties, and functional targets, our AI platform generates a diverse array of backbone designs optimized for stability, biocompatibility, and performance. We employ energy minimization algorithms and force field calculations to refine and optimize the geometries and energetics of candidate miniprotein backbones, ensuring their structural integrity and compatibility with experimental conditions.

Fig 3: Our services of miniproteins design

Disulfide Bond Design of Miniproteins

Leveraging AI algorithms and molecular modeling simulations, we customize and optimize disulfide bond patterns to impart desired structural stability and bioactivity to the miniproteins, tailored to the intended application. In instances where precise understanding of biochemical mechanisms is essential, we employ QM/MM simulations to elucidate the electronic and energetic properties of disulfide bond formation within miniproteins.

Our Capabilities

Our Capabilities

Our Analysis Methods

Our miniproteins design process is underpinned by an array of cutting-edge computational methods and AI-driven approaches, ensuring precision and efficiency throughout the design pipeline:

  • Machine Learning Algorithms
We employ advanced machine learning models to analyze vast molecular datasets, predict miniprotein properties, and expedite the design process by identifying patterns and optimal structural features.
  • Quantum Mechanics Simulations
Utilizing quantum mechanics simulations, we achieve high-fidelity predictions of miniprotein behavior at the atomic level, enabling accurate structural refinement and validation.
  • Molecular Docking and Dynamics
Through molecular docking simulations and molecular dynamics studies, we assess miniprotein interactions with target molecules, deciphering binding mechanisms and optimizing binding interfaces.
  • Big Data Analytics
Our use of big data analytics enables the extraction of relevant insights from large-scale molecular databases, empowering informed decision-making and enhancing the efficiency of miniprotein design.

CD ComputaBio harnesses high-performance computing resources and state-of-the-art molecular modeling software, empowering us to tackle complex design challenges and deliver high-impact solutions. Through the integration of AI algorithms, we enable rapid iterative design cycles, accelerating the exploration of miniprotein design space and facilitating agile optimization. If you are interested in our services or have any questions, please feel free to contact us.


  • Gihaz S, Bash Y, Rush I, et al. Bridges to stability: engineering disulfide bonds towards enhanced lipase biodiesel synthesis[J]. ChemCatChem, 2020, 12(1): 181-192.


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