Article
Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure (London, England : 1993) - 5 Apr 2016
Leaver-Fay Andrew, Froning Karen J, Atwell Shane, Aldaz Hector, Pustilnik Anna, Lu Frances, Huang Flora, Yuan Richard, Hassanali Saleema, Chamberlain Aaron K, Fitchett Jonathan R, Demarest Stephen J, Kuhlman Brian
Abstract excerpt
A challenge in the structure-based design of specificity is modeling the negative states, i.e., the complexes that you do not want to form. This is a difficult problem because mutations predicted to destabilize the negative state might be accommodated by small conformational rearrangements. To overcome this challenge, we employ an iterative strategy that cycles between sequence design and protein docking in order...
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