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Computational Identification of Amino-Acid Mutations that Further Improve the Activity of a Chalcone-Flavonone Isomerase from Glycine max

Description: This article discusses a computational approach that combines multiple sequence alignment, positive selection detection, and molecular docking to identify and design beneficial amino-acid mutations that further improve the intramolecular-cyclization activity of a chalcone-flavonone isomerase from Glycine max (GmCHI).
Date: February 24, 2017
Creator: Yuan, Hui; Wu, Jiaqi; Wang, Xiaoqiang; Chen, Jiakuan; Zhong, Yang; Huang, Qiang et al.

Computational inference of the structure and regulation of the lignin pathway in Panicum virgatum

Description: This article uses a systems biological modeling approach to address the challenge of in vivo measurements to elucidate the structure and regulation of the lignin pathway through a computational characterization of alternate candidate topologies.
Date: September 17, 2015
Creator: Faraji, Mojdeh; Fonseca, Luis L.; Escamilla-Treviño, Luis; Dixon, R. A. & Voit, Eberhard O.

Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach

Description: Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Date: October 3, 2007
Creator: DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-