The identification of small molecules from mass spectrometry (MS) data remains a major
challenge in the interpretation of MS data. This review covers the computational aspects of …

A fast and memory-efficient calculation of theoretical isotope patterns is crucial for the
routine interpretation of mass spectrometric data. For high-resolution experiments …

As high-resolution mass spectrometry (HRMS) becomes increasingly available, the need of
software tools capable of handling more complex data is surging. The complexity of the …

Conformational change and modification of proteins are involved in many cellular functions.
However, they can also have adverse effects that are implicated in numerous diseases. How …

In this article, we present a computation-and memory-efficient method to calculate the
probabilities of occurrence and exact center-masses of the aggregated isotopic distribution …

We introduce a simplified computational algorithm for computing isotope distributions
(relative abundances and masses) of biomolecules. The algorithm is based on Poisson …

The isotope patterns of unknown analytes provide information that can be of great value in
their identification as part of a mass spectrometry experiment. Determining the range of …

In this paper, we present Molecular Isotopic Distribution Analysis (MIDAs), a new software
tool designed to compute molecular isotopic distributions with adjustable accuracies. MIDAs …

A measure of abundance is determined for an element or element combination within a
sample, the element or element combination having at least one isotopic variant. An isotopic …

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Wiley & Sons are providing a current awareness service in each issue of the journal. The …