The search of sequence variants using a constrained protein evolution simulation approach.

ABSTRACT: Protein engineering or candidate therapeutic peptide optimization are processes in which the identification of relevant sequence variants is critical. Starting from one amino-acid sequence, the choice of the substitutions must meet the objective of not disrupting the structure of the protein, not impacting the main functional properties of the starting entity, while also meeting the condition to enhance some expected property such as thermal stability, resistance to degradation, … Here, we introduce a new approach of sequence evolution that focuses on the objective of not disrupting the structure of the initial protein by embedding a point to point control on the preservation of the local structure at each position in the sequence. For 6 mini-proteins, we find that, starting from a single

SUBMITTER: Tuffery P 

PROVIDER: S-EPMC7355721 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature