- Computer-Aided Drug Design (CADD)
- DNA-Encoded Library Technology (DELT)
- Fragment-Based Screening
- High Content Screening (HCS)
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High Throughput Screening (HTS)
- Automated HTS Platform
- Biochemical assays in Hit Characterization
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Biophysical Assays in Hit Characterization
- BLI for Affinity-based Hit Screening
- CD Spectrometry for Protein Structure Determination
- ITC for Binding Assessment
- MS for Structure Confirmation
- MT for Binding Affinity Measurement
- NMR Spectrometry for Tareget identification and Characterization
- SPR Spectrometrys for Structure Determination
- TSA for Protein's Stability Evaluation
- Cellular assays in Hit Characterization
- Drug Repurposing
- Hit Screening
- HTS Assay Development
- HTS Compounds Libraries
- HTS Data Management
- Virtual Screening (VS)
One-stop
Drug Discovery Services
- Experienced and qualified scientists functioning as project managers or study director
- Independent quality unit assuring regulatory compliance
- Methods validated per ICH GLP/GMP guidelines
- Rigorous sample tracking and handling procedures to prevent mistakes
- Controlled laboratory environment to prevent a whole new level of success
Protein Peptide Docking
INQUIRYPeptides have been widely used in the docking progress, for they cover a much larger surface area when interacting with the 'hot-spots' on the binding surface of a protein target. Peptides can therefore interact with their targets with high specificity and biologically relevant affinity. These kind of interactions play important roles in living organisms and they are concluded in a variety of signaling pathways including cellular localization, immune response or protein expression and degradation. Scientists use the crucial information of such interactions to investigate various interactions associated diseases.
Fig.1 Molecular visualizations of the protein-peptide docking. (Kurcinski, M.; et al. 2020)Our Services of Protein Peptide Docking
Docking
We perform a search to give reliable predictions of the binding site at the protein receptor surface.
Scoring
We apply the obtained predicted data on binding site to constrain the docking to local regions of the protein surface.
Ranking
The best-scored structures are clustered and ranked, and the largest clusters with low-energy conformations are chosen for high-quality structural refinement.
Our Capabilities of Protein Peptide Docking
We can provide convincing identification of hot-spot residues and accurate prediction of binding affinity.
We also observe and search for structural units of peptides with their binding pocket within not only interfaces but also monomers.
In the docking stages, we provide the services of simulating peptide folding process.
Our groups can simulate the significant conformational changes of protein-peptides complex interactions, and the peptide conformation allows to be fully flexible.
We are capable of carrying out high-resolution structural refinement and characterization before delivering the final structures.
At BOC Sciences, modification of amino acids in both proteins and peptides are available.
Our docking approach can also be applied to study the peptide-protein association, and to design the new peptide binder for multiple purposes.
Reference
Kurcinski, M.; et al. Flexible docking of peptides to proteins using CABS-dock. Protein Science. 2020, 29(1): 211-222.
※ It should be noted that our service is only used for research.
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