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Change of the unbinding mechanism upon a mutation: A molecular dynamics study of an antibody–hapten complex
We study forced unbinding of fluorescein from the wild type (WT) and a mutant [H(H58)A] of the single-chain variable-fragment (scFv) anti-fluorescein antibody FITC-E2 by molecular dynamics simulations using various pulling techniques. A large number of long simulations were needed to obtain statisti...
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| Main Authors: | , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Cold Spring Harbor Laboratory Press
2005
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2253310/ https://ncbi.nlm.nih.gov/pubmed/16195542 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1110/ps.041280705 |
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