[TechBlog] AI Drug Discovery: Automated Design of Protein-Binding Agents
BIOVIA Discovery Studio
Integrating RFdiffusion, ProteinMPNN, and AlphaFold2! Automatic design of protein binders using AI.
"BIOVIA Discovery Studio" is an integrated software that supports molecular modeling and simulation in drug discovery and life sciences research. It also accommodates the automated design of protein binders using generative AI. In "Design Protein Binders," AI technologies such as RFdiffusion, ProteinMPNN, and AlphaFold2 are integrated to de novo design the structure and sequence of novel proteins that bind to target proteins. Users can specify targets, hotspots, and the size of binders, and execute automated design using GPU resources on the 3DEXPERIENCE cloud. Generated candidates can be evaluated using pLDDT, PAE, iPAE, RMSD, and analyses of protein-protein interactions and structural stability are also supported. 【Features】 ■ De novo design of protein structures and sequences using generative AI ■ Integration of RFdiffusion, ProteinMPNN, and AlphaFold2 ■ All-in-one design of protein binder structures and sequences ■ Support for scoring design candidates and PPI analysis *For more details, please feel free to contact us.
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basic information
【Target】 ■ Research and development personnel at pharmaceutical and biotech companies / drug discovery researchers / protein and structural biology researchers / computational chemistry and in silico drug discovery personnel / researchers at universities and research institutions *For more details, please refer to the related links or feel free to contact us.
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【Usage】 ■ 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.
