Article
Extending RosettaDock with water, sugar, and pH for prediction of complex structures and affinities for CAPRI rounds 20-27.
Proteins - 1 Dec 2013
Kilambi Krishna Praneeth, Pacella Michael S, Xu Jianqing, Labonte Jason W, Porter Justin R, Muthu Pravin, Drew Kevin, Kuroda Daisuke, Schueler-Furman Ora, Bonneau Richard, Gray Jeffrey J
Abstract excerpt
Rounds 20-27 of the Critical Assessment of PRotein Interactions (CAPRI) provided a testing platform for computational methods designed to address a wide range of challenges. The diverse targets drove the creation of and new combinations of computational tools. In this study, RosettaDock and other novel Rosetta protocols were used to successfully predict four of the 10 blind targets. For example, for DNase domain...
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