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The design of enzymes with complex active sites that mediate multistep reactions remains an outstanding challenge. With serine hydrolases as a model system, we combined the generative capabilities of RFdiffusion with an ensemble generation method for assessing active site preorganization at each step in the reaction to design enzymes starting from minimal active site descriptions. Experimental characterization revealed catalytic efficiencies (
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and crystal structures that closely match the design models (Cα root mean square deviations
Academic Publication Computational design of serine hydrolases
Research Abstract & Technology Focus
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What is the core focus of the research titled 'Computational design of serine hydrolases'?
This literature focuses on: The design of enzymes with complex active sites that mediate multistep reactions remains an outstanding challenge. With serine hydrolases as a model system, we combined the generative capabilities of RFdiffusion with an ensemble generation method ...
Are there open-source GitHub repositories related to Computational design of serine hydrolases?
Yes, open-source projects like slowmist/openclaw-security-practice-guide (This guide is designed for OpenClaw itself (Agent-facing), not as a traditional human-only hardening checklist.) are actively building upon these concepts.
Which startups are commercializing the technology behind Computational design of serine hydrolases?
Products like ShowcasePro are bringing this to market. Their focus is: Convert photos into elegant designs for marketing + sharing.
What other academic literature is closely related to 'Computational design of serine hydrolases'?
Yes, highly correlated activity was mapped. An entry titled 'Generalized biomolecular modeling and design with RoseTTAFold All-Atom' discusses this: Deep-learning methods have revolutionized protein structure prediction and design but are presently limited to protein-only systems. We describe Ro...
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Commercial Realization
Startups and Open Source tools heavily associated with the concepts explored in this paper.
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GitHubslowmist/openclaw-security-practice-guide
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GitHubgarrytan/gstack
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Product HuntShowcasePro
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Product HuntGeneratePPT