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Kong2022 - Conditional Antibody Design as 3D Equivariant Graph Translation

ABSTRACT: Multi-channel Equivariant Attention Network (MEAN) to co-design 1D sequences and 3D structures of CDRs. To be specific, MEAN formulates antibody design as a conditional graph translation problem by importing extra components including the target antigen and the light chain of the antibody. Then, MEAN resorts to E(3)-equivariant message passing along with a proposed attention mechanism to better capture the geometrical correlation between different components. Finally, it outputs both the 1D sequences and 3D structure via a multi-round progressive full-shot scheme, which enjoys more efficiency and precision against previous autoregressive approaches.

SUBMITTER: Kieran Didi

PROVIDER: BIOMD0000001070 | BioModels | 2023-05-10

REPOSITORIES: BioModels

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