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Higher Affinity Antibodies Bind with Lower Hydration and Flexibility in Large Scale Simulations

Mabel T. Y. Wong,Sebastian Kelm,Xiaofeng Liu,Richard D. Taylor,Terry Baker,Jonathan W. Essex

Frontiers in Immunology（2022）

Cited 1|Views16
Key words
antibody-antigen interactions,antibody binding,antibody affinity,antibody interface hydration,CDR flexibility,molecular dynamics,replica exchange
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