Decoding the Structure-Function Correlation of Adeno-Associated Virus 2 Capsid Mutants Recognition by A20 Antibody: A Predictive Modeling Using Coarse-Grained Simulations.

Abstract excerpt

Adeno-associated virus serotype 2 (AAV2) is widely used as a gene therapy vector due to its favorable safety profile and broader transduction capabilities. However, pre-existing immunity poses a significant barrier to its therapeutic applications. In this study, we employed coarse-grained elastic network molecular dynamics simulations to investigate the structural and conformational dynamics of the wild-type AAV2...

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