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Molecular dynamics force probe simulations of antibody/antigen unbinding: entropic control and nonadditivity of unbinding forces.

Unbinding of a spin-labeled dinitrophenyl (DNP) hapten from the monoclonal antibody AN02 F(ab) fragment has been studied by force probe molecular dynamics (FPMD) simulations. In our nanosecond simulations, unbinding was enforced by pulling the hapten molecule out of the binding pocket. Detailed insp...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Heymann, B, Grubmüller, H
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2001
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC1301611/
https://ncbi.nlm.nih.gov/pubmed/11509346
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