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. 2020 Dec 29;8(1):3. doi: 10.3390/bioengineering8010003

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Preliminary molecular simulation of docking between the scFv antibody and the α2Ct epitope of rat collagen. Lower figure: C-terminus of the rat type I collagen model; α1(I) chains, purple and green; α2(I) chain, cyan, α2Ct epitope, dark cyan. Upper figure: scFv antibody with highly water accessible “exposed” regions (mesh surface) color-scaled towards the red end of the spectrum; green is intermediate and blue is not exposed. Antibody subunits show potentially complementary binding interactions at α2Ct epitope (see text).