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Vancomycin resistance: Modeling backbone variants with d-Ala-d-Ala and d-Ala-d-Lac peptides

To seek vancomycin analogs with broader antibacterial activity, effects of backbone modifications for the agylcon 2 on binding with d-Ala-d-Ala- and d-Ala-d-Lac-containing peptides were investigated by Monte Carlo/free energy perturbation (MC/FEP) calculations. The experimental trend in binding affi...

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Main Authors: Leung, Siegfried S. F., Tirado-Rives, Julian, Jorgensen, William L.
格式: Artigo
語言:Inglês
出版: 2008
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2702131/
https://ncbi.nlm.nih.gov/pubmed/19128968
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2008.12.072
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