A web-based toolkit for protein design

Wörtwein, T

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A web-based toolkit for protein design

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Wörtwein, T
Reproductive Isolation and Speciation in Brown Algae Group, Department Algal Development and Evolution, Max Planck Institute for Biology Tübingen, Max Planck Society;
Department Algal Development and Evolution, Max Planck Institute for Biology Tübingen, Max Planck Society;

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https://www.europeanrosettacon.org/wp-content/uploads/2024/11/Rosetta-Conference-Booklet.pdf
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Citation

Wörtwein, T. (2024). A web-based toolkit for protein design. Poster presented at European RosettaCon 2024: Knowledge Transfer for Modern Protein Modeling and Design, Copenhagen, Denmark.

Cite as: https://hdl.handle.net/21.11116/0000-0010-3990-B

Abstract

We have recently developed a fast, physics-based approach for protein design, which leverages tensorized energy calculations. Here, we present a toolkit of different applications using our tensorized design engine as well as third- party tools, such as OpenMM and ProteinMPNN. Our toolkit seamlessly integrates different applications, allowing interoperability and pipelining. The toolkit is implemented as a web server that enables structure-centric manipulations through an intuitive graphical interface; available at damietta.de. Our future work involves improving the performance of this platform and expanding the available tools set.