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Article
Open AccessAnchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
Despite recent success in computational design of structured cyclic peptides, de novo design of cyclic peptides that bind to any protein functional site remains difficult. To address this challenge, we develop...
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Article
Open AccessThe influence of proline isomerization on potency and stability of anti-HIV antibody 10E8
Monoclonal antibody (mAb) 10E8 recognizes a highly conserved epitope on HIV and is capable of neutralizing > 95% of circulating viral isolates making it one of the most promising Abs against HIV. Solution inst...
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Article
Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used in laboratories worldwide. During two decades of development by a community of laboratories at more than 60 institutions...
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Article
De novo design of potent and selective mimics of IL-2 and IL-15
We describe a de novo computational approach for designing proteins that recapitulate the binding sites of natural cytokines, but are otherwise unrelated in topology or amino acid sequence. We use this strateg...
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Article
Modeling and docking of antibody structures with Rosetta
Weitzner et al. describe a computational protocol that uses RosettaAntibody to predict antibody structures from sequence data. SnugDock is then used for docking of these structures to protein antigens.