Ion Channel Protein Modeling Service

Ion channels are membrane proteins with important physiological and pharmacological roles. As with many integral membrane proteins, the X-ray structures of only a few bacterial channels are known, but modeling their structures is needed to analyze channel-related diseases and drug design. CD ComputaBio specializes in ion channel protein modeling services. We combine state-of-the-art computational technology with advanced scientific methods to provide unparalleled modeling services for channel proteins. We utilize techniques from computational biology, bioinformatics, and molecular modeling to provide you with professional ion channel protein modeling services.

Our Bioinformatics Tools

Robetta Server

Robetta Server provides a fully automated protein structure prediction service where we use a relatively unique approach to predict the secondary and tertiary structures of various proteins, including ion channels.


This is an easy-to-use online protein structure prediction tool with automatic and manual modes. The tool uses homology modeling to predict the 3D structure of proteins such as ion channels.


I-TASSER can predict various protein structures including ion channels based on the principle of multi-template search, then modeling based on multi-templates separately, and finally integrating the results. The parts without templates are filled by ab initio prediction.

Our Services

Ion Channel Protein Structure Prediction

Figure 1. Ion Channel Protein Structure Prediction.

3D Structure Modeling: Through comparative modeling and ab initio modeling, we can generate accurate 3D models of different channel protein families to further explore their functional mechanisms and ligand interactions.

Structure Prediction Service: We use a relatively unique approach to predict various proteins' secondary and tertiary structures, including ion channels.

Molecular Dynamics Simulations

Figure 2. Molecular Dynamics Simulations.

We offer molecular dynamics (MD) simulation services that provide insight into the following properties of channel proteins:

  • Conformational changes
  • Ion permeation
  • Gating mechanisms

Ion Passage Simulation Service: We can also simulate the process of ion passage through ion channel proteins to study the opening and closing mechanisms and dynamic structural changes of ion channel proteins.

Functional Annotation and Analysis

Figure 3. Functional Annotation and Analysis.

Our services include comprehensive functional annotation and analysis of channel proteins to identify information critical to their biological activity, including but not limited to:

  • Key residue analysis
  • Structural domain analysis

Delivery of Results

Upon completion of the project, we will provide all relevant data and results, including:

  • Complete protein model files
  • Results of model optimization and simulation
  • Results of drug target prediction
  • Results of molecular docking and pharmacophore studies.

Workflow of Our Services

Figure 5. Workflow of Ion Channel Protein Modeling Service.

At CD ComputaBio, we will provide high quality modeling and simulation services for your ion channel protein research with professional knowledge, rich experience and precise technology to maximize your research needs. To get more information about our ion channel protein modeling services, please feel free to contact us.

* For Research Use Only.