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  6. [TechBlog] Complex Modeling through Protein-Protein Docking

[TechBlog] Complex Modeling through Protein-Protein Docking

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BIOVIA Discovery Studio

last updated:Sep 02, 2026

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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
methods_for_PPD.png

[TechBlog] Complex Modeling through Protein-Protein Docking

methods_for_PPD.png
methods_for_PPD.png PPD_ZDOCK.png refining_with_RDOCK.png results_with_ZDOCK.png
  • Related Link - https://www.wavefront.co.jp/CAE/BIOVIA/cmn-discove…
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【Target】 ■ Research and development personnel from pharmaceutical and biotech companies / drug discovery researchers / protein and structural biology researchers / computational chemistry and in silico drug discovery personnel / researchers from universities and research institutions *For more details, please refer to the related links or feel free to contact us.

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【Purpose】 ■ Prediction of protein three-dimensional structures / Structure-based drug discovery / Structural analysis of target proteins /  Homology modeling / Protein structure prediction using AI / Molecular dynamics simulation /  Molecular docking / Analysis of protein-drug molecule interactions *For more details, please refer to the related links or feel free to contact us.

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Our company develops and sells a "Maintenance Management System" for managing and operating various plants, factories, and other facilities and assets. Currently, this system is undergoing significant evolution into one that incorporates IoT technologies, such as sensor information and input from tablet devices, as well as AI technologies like machine learning, featuring functions for failure prediction and automatic scheduling. Additionally, as part of the recent trend towards digital transformation (DX), there is a growing movement to digitize and automate manufacturing processes and research and development sites in factories to enhance operational efficiency. In line with this trend, our company provides a solution aimed at improving efficiency in research and development environments, known as the Laboratory Information Management System (LIMS), which includes features such as workflow management, data tracking, data management, data analysis, and integration of electronic lab notebooks.

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