Homology Modeling Service
In the dynamic landscape of drug discovery, computer-aided techniques like homology modeling play a pivotal role in expediting the identification and optimization of novel drug candidates. Homology modeling, also known as comparative modeling, is a computational method used to predict the three-dimensional structure of a protein based on its similarity to one or more known protein structures. This predictive modeling technique has revolutionized the field of structural biology, offering valuable insights into the structure-function relationships of proteins and aiding in rational drug design.
Figure 1. Homology modeling service. (CD ComputaBio)
Introduction of Homology Modeling Service
Homology modeling relies on the fundamental principle that evolutionarily related proteins share similar structures and functions. By leveraging this evolutionary conservation, homology modeling can predict the structure of a target protein based on the experimentally determined structure of a homologous protein or proteins. This predictive modeling approach is particularly valuable when experimental methods such as X-ray crystallography or NMR spectroscopy are not feasible or time-consuming.
Our Service
Target Protein Selection
We work closely with clients to identify target proteins of interest and assess their suitability for homology modeling.
Template Identification and Alignment
We identify homologous proteins with structural features as modeling templates. Then, we perform comparisons to generate reliable structural models.
Model Building and Refinement
Through advanced molecular modeling techniques, we construct an initial 3D model of the target protein based on the template structure. Subsequent refinement steps are employed to optimize the model's geometry and energetics.
Validation and Quality Assessment
Our team conducts rigorous validation and quality assessment procedures to ensure the accuracy and reliability of the homology model. This includes assessing stereochemistry, evaluating structural features, and verifying the model against experimental data.
The process of Homology Modeling Service
Target protein selection - We will work with you to identify the protein of interest and gather all relevant information, such as sequence data and functional annotations.
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Template selection - Once the target protein has been identified, we will search for homologous proteins with known structures that can be used as templates for modeling.
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Model building - Using state-of-the-art modeling software, we will generate a three-dimensional structure of the target protein based on the alignment with the selected template.
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Model validation - Before delivering the final model to the client, we will rigorously validate its quality using various assessment tools and criteria.
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Approach to Homology Modeling Service
Sequence-Based Homology Modeling
Based on sequence similarity, we identify homologous proteins with known structures to serve as templates for modeling.
Template-Based Modeling
We utilize template structures to generate initial models of the target protein, incorporating sequence alignment and structural comparisons.
Loop Modeling and Refinement
Our experts employ loop modeling techniques to model regions of the protein with missing coordinates, enhancing the completeness of the structure.
Advantages of Our Services
Customized Approach
We understand that each research project is unique, and we tailor our modeling strategies to meet the specific requirements of our clients.
Experienced Team
Our team of bioinformaticians and structural biologists has years of experience in homology modeling and protein structure prediction, ensuring the highest quality results.
Fast Turnaround Time
We are committed to delivering results in a timely manner, allowing our clients to progress with their research projects without delays.
Homology modeling is a valuable tool in structural biology and drug discovery, allowing researchers to predict the three-dimensional structure of proteins with high accuracy. At CD ComputaBio, we offer a comprehensive Homology Modeling Service that is tailored to meet the specific needs of our clients. Our experienced team of bioinformaticians and structural biologists employs state-of-the-art computational techniques to generate reliable protein models that can be used in virtual screening and drug design studies.
* For Research Use Only.
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