Antigenic Determinants of Der p 1: Specificity and Cross-Reactivity Associated with IgE Antibody Recognition
Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
BioNetGen 2.2: advances in rule-based modeling.
Sharing brain mapping statistical results with the neuroimaging data model.
Optimization and Control of Agent-Based Models in Biology: A Perspective
Staying Alive: Measuring Intact Viable Microbes with Electrospray Ionization Mass Spectrometry.
Metabolomics: beyond biomarkers and towards mechanisms
Metabolomics, which is the profiling of metabolites in biofluids, cells and tissues, is routinely applied as a tool for biomarker discovery. Owing to innovative developments in informatics and analytical technologies, and the integration of orthogonal biological approaches, it is now possible to ex...Read more
Endothelial to mesenchymal transition is common in atherosclerotic lesions and is associated with plaque instability
Endothelial to mesenchymal transition (EndMT) plays a major role during development, and also contributes to several adult cardiovascular diseases. Importantly, mesenchymal cells including fibroblasts are prominent in atherosclerosis, with key functions including regulation of: inflammation, matrix...Read more
Proteome-wide covalent ligand discovery in native biological systems.
Targeting Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MAPKAPK2, MK2): Medicinal Chemistry Efforts To Lead Small Molecule Inhibitors to Clinical Trials.
An R Package for Finlay-Wilkinson Regression that Incorporates Genomic/Pedigree Information and Covariance Structures Between Environments
The Finlay-Wilkinson regression (FW) is a popular method among plant breeders to describe genotype by environment interaction. The standard implementation is a two-step procedure that uses environment (sample) means as covariates in a within-line ordinary least squares (OLS)regression. This procedu...Read more
Breast Imaging in the Era of Big Data: Structured Reporting and Data Mining
OBJECTIVE. The purpose of this article is to describe structured reporting and the development of large databases for use in data mining in breast imaging.
CONCLUSION. The results of millions of breast imaging examinations are reported with structured tools based on the BI-RADS lexicon. Much of ...Read more
Predicting protein function and other biomedical characteristics with heterogeneous ensembles
Prediction problems in biomedical sciences, including protein function prediction (PFP), are generally quite difficult. This is due in part to incomplete knowledge of the cellular phenomenon of interest, the appropriateness and data quality of the variables and measurements used for prediction, as ...Read more
The Quantitative-MFG Test: A Linear Mixed Effect Model to Detect Maternal-Offspring Gene Interactions
Maternal-offspring gene interactions, aka maternal-fetal genotype (MFG) incompatibilities, are neglected in complex diseases and quantitative trait studies. They are implicated in birth to adult onset diseases but there are limited ways to investigate their influence on quantitative traits. We pres...Read more
Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits
Traditional coarse-graining based on a reduced number of interaction sites often entails a significant sacrifice of chemical accuracy. As analternative, we present a method for simulating large systems composed of interacting macromolecules using an energy tabulation strategy previously devised for...Read more
Charting a Path to Success in Virtual Screening.
Computational challenges of structure-based approaches applied to HIV.
A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA.