Surveying biomolecular frustration at atomic resolution

The analysis of biomolecular frustration yielded insights into several aspects of protein behavior. Here the authors describe a framework to efficiently quantify and localize biomolecular frustration within proteins at atomic resolution, and observe that drug specificity is correlated with a minimal...

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Autores principales: Mingchen Chen, Xun Chen, Nicholas P. Schafer, Cecilia Clementi, Elizabeth A. Komives, Diego U. Ferreiro, Peter G. Wolynes
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/faf469d2c6054cd7b15e2d03d0f96484
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Sumario:The analysis of biomolecular frustration yielded insights into several aspects of protein behavior. Here the authors describe a framework to efficiently quantify and localize biomolecular frustration within proteins at atomic resolution, and observe that drug specificity is correlated with a minimally frustrated binding pocket leading to a funneled binding landscape.