Automatic design of protein binders in DiscoveryStudio.
Automatic design of protein binder structures using AI!
In recent years, functional protein binders have become important in drug discovery for controlling and exploring protein functions. However, their design is very complex and not easy, even with the use of generative AI. However, with Discovery Studio, it is possible to automatically design the structure and sequence of binders in an all-in-one approach. The execution steps are quite simple. - Molecular structure of the target protein - Residues at the interaction site (when a specific target is chosen) - Size of the binder to be designed You only need to set the three points above. Data regarding the structure and sequence of the binder is generated from scratch, and candidates that meet the minimum design requirements are explored. Furthermore, the discovered candidates are evaluated using a scoring function, improved iteratively to enhance the scores, and ultimately, the "desired parameter set" and "the complex structure of the binder and target" are listed along with their scores. For a detailed technical explanation, please visit our introduction page below! https://www.wavefront.co.jp/tech-blog/posts/ai-assisted-design.html
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