Surveying biomolecular frustration at atomic resolution

oleh: Mingchen Chen, Xun Chen, Nicholas P. Schafer, Cecilia Clementi, Elizabeth A. Komives, Diego U. Ferreiro, Peter G. Wolynes

Format: Article
Diterbitkan: Nature Portfolio 2020-11-01

Deskripsi

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.