Deconvoluting the diversity of within-host pathogen strains in a multi-locus sequence typing framework.

Background: Bacterial pathogens exhibit an impressive amount of genomic diversity. This diversity can be informative of evolutionary adaptations, host-pathogen interactions, and disease transmission patterns. However, capturing this diversity directly from biological samples is challenging.

A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening.

Measuring similarity between molecules is an important part of virtual screening (VS) experiments deployed during the early stages of drug discovery. Most widely used methods for evaluating the similarity of molecules use molecular fingerprints to encode structural information. While similarity methods using fingerprint encodings are efficient, they do not consider all the relevant aspects of molecular structure.