The Damietta Server: a comprehensive protein design toolkit.

ABSTRACT: The growing importance of protein design to various research disciplines motivates the development of integrative computational platforms that enhance the accessibility and interoperability of different design tools. To this end, we describe a web-based toolkit that builds on the Damietta protein design engine, which deploys a tensorized energy calculation framework. The Damietta Server seamlessly integrates different design tools, in addition to other tools such as message-passing neural networks and molecular dynamics routines, allowing the user to perform multiple operations on structural models and forward them across tools. The toolkit can be used for tasks such as core or interface design, symmetric design, mutagenic scanning, or conformational sampling, through an intuitive user int

SUBMITTER: Grin I 

PROVIDER: S-EPMC11223796 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature