Search for: All records

Abstract Motivation There has been recent increased interest in using algorithmic methods to infer the evolutionary tree underlying the developmental history of a tumor. Quantitative measures that compare such trees are vital to a number of different applications including benchmarking tree inference methods and evaluating common inheritance patterns across patients. However, few appropriate distance measures exist, and those that do have low resolution for differentiating trees or do not fully account for the complex relationship between tree topology and the inheritance of the mutations labeling that topology. Results Here we present two novel distance measures, Common Ancestor Set distance (CASet) and Distinctly Inherited Set Comparison distance (DISC), that are specifically designed to account for the subclonal mutation inheritance patterns characteristic of tumor evolutionary trees. We apply CASet and DISC to multiple simulated datasets and two breast cancer datasets and show that our distance measures allow for more nuanced and accurate delineation between tumor evolutionary trees than existing distance measures. Availability and implementation Implementations of CASet and DISC are freely available at: https://bitbucket.org/oesperlab/stereodist. Supplementary information Supplementary data are available at Bioinformatics online. 

Abstract Motivation Many important cellular processes involve physical interactions of proteins. Therefore, determining protein quaternary structures provide critical insights for understanding molecular mechanisms of functions of the complexes. To complement experimental methods, many computational methods have been developed to predict structures of protein complexes. One of the challenges in computational protein complex structure prediction is to identify near-native models from a large pool of generated models. Results We developed a convolutional deep neural network-based approach named DOcking decoy selection with Voxel-based deep neural nEtwork (DOVE) for evaluating protein docking models. To evaluate a protein docking model, DOVE scans the protein–protein interface of the model with a 3D voxel and considers atomic interaction types and their energetic contributions as input features applied to the neural network. The deep learning models were trained and validated on docking models available in the ZDock and DockGround databases. Among the different combinations of features tested, almost all outperformed existing scoring functions. Availability and implementation Codes available at http://github.com/kiharalab/DOVE, http://kiharalab.org/dove/. Supplementary information Supplementary data are available at Bioinformatics online.