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[Technical Column] Complex Modeling through Protein-Protein Docking

[Technical Column] Complex Modeling through Protein-Protein Docking

Protein-protein docking can also be easily analyzed with simple operations!

BIOVIA DiscoveryStudio allows for the analysis of protein-protein docking, which is considered more complex than general docking simulations, with simple operations. The analysis is performed through the following two steps: 1. Conduct a simple protein-protein docking to generate and score multiple candidate structures. 2. Re-score the generated candidate structures based on energy calculations to refine the selection. The image analyzes the docking of a complex between bovine pancreatic β-trypsin (protein receptor) and the inhibitor CMTI-I derived from pumpkin seeds (protein ligand) using this procedure. For detailed steps and technical explanations, please visit our case study page below! https://www.wavefront.co.jp/tech-blog/posts/docking-proteins.html

  • Protein Analysis Software
  • Other Protein Research Software
  • Body modeling

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[TechBlog] Complex Modeling through Protein-Protein Docking

[TechBlog] Complex Modeling through Protein-Protein Docking

Achieve protein-protein docking (PPD) with "BIOVIA Discovery Studio"! Support for predicting and analyzing complex structures!

This introduces the structural modeling of protein complexes through Protein-Protein Docking (PPD). In protein-protein docking, potential binding poses that may form a complex are explored from the three-dimensional structures of interacting proteins. With "BIOVIA Discovery Studio," it is possible to perform rapid docking pose exploration and evaluation using ZDOCK, as well as structure refinement and re-evaluation using RDOCK. A series of analyses can be operated from the UI screen, and it can be utilized for analyzing protein-protein interactions (PPI), studying antibody-antigen interactions, and drug discovery research. It can be used for structural prediction and analysis of protein complexes, as well as understanding intermolecular interactions. **Features** - A wide range of analytical methods necessary for in silico drug discovery are available. - In addition to homology modeling, it also supports protein structure prediction using AI. - Supports multifaceted analyses such as docking based on predicted protein structures. - Compatible with protein-protein docking and complex structure modeling using ZDOCK and RDOCK. *For more details, please refer to the related links or feel free to contact us.*

  • Software (middle, driver, security, etc.)
  • Other Protein Research Software
  • Body modeling

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