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Rescue site detection software tools | Protein structure data analysis

A deleterious amino acid change in a protein can be compensated by a second-site rescue mutation. These compensatory mechanisms can be mimicked by drugs. In particular, the location of rescue mutations can be used to identify protein regions that can be targeted by small molecules to reactivate a damaged mutant.

Source text:
(Tiberti et al., 2017) In silico identification of rescue sites by double force scanning. Bioinformatics.

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DFS / Double Force Scanning
Predicts rescue sites in a protein. DFS can detect candidate rescue sites for pathogenic mutations using as input only the native structure of a protein. The software focuses on rescue sites that use intra-molecular mechanisms mediated by backbone dynamics and is based on the assumption that the structural perturbation induced by a mutation can be mimicked by the application of a force. It can be useful to identify new drug targets for the development of ad hoc therapies of genetic disorders.
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