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Forcefield_NCAA: Ab Initio Charge Parameters to Aid in the Discovery and Design of Therapeutic Proteins and Peptides with Unnatural Amino Acids and Their Application to Complement Inhibitors of the Compstatin Family

[Image: see text] We describe the development and testing of ab initio derived, AMBER ff03 compatible charge parameters for a large library of 147 noncanonical amino acids including β- and N-methylated amino acids for use in applications such as protein structure prediction and de novo protein desig...

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Detalhes bibliográficos
Publicado no:ACS Synth Biol
Main Authors: Khoury, George A., Smadbeck, James, Tamamis, Phanourios, Vandris, Andrew C., Kieslich, Chris A., Floudas, Christodoulos A.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4277759/
https://ncbi.nlm.nih.gov/pubmed/24932669
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/sb400168u
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