lipids

The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of mass spectrometry (MS) omics data, in particular proteomic (either at the peptide or the protein level), lipidomic, and metabolomic data. This includes data transformation, specification of groups that are to be compared against each other, filtering of feature and/or samples, data normalization, and data summarization (correlation, PCA).

Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.

A Python toolkit for the analyis of lipid membrane simulations

LipidHunter is capable to perform bottom up identification of lipids from LC-MS/MS and shotgun lipidomics data by resembling a workflow of manual spectra annotation. LipidHunter generates interactive HTML output with its unique six-panel-image, which provides an easy way to review, store, and share the identification results.

💻 Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.

Optimization tool for calibrating CG FFs of lipids, relying on the simultaneous usage of reference AA trajectories (bottom-up) and experimental data (top-down)

The ProLint Webserver

Code for an analysis of the association of lipid regulating agents (e.g. statins) with incidence of dementia outcomes

Statistical analysis portion of the LMQ software. Note that this software is incomplete.

epiLipidome Identifier and Optimized Nomenclature

Relationship between sphingolipids, pathogens, and aging. Uses cationic amphipathic drugs (CADs) to unveil the relationship of sphingolipids, which are natural cationic amphipaths, to pathogens and aging.

ADViSELipidomics is a novel Shiny app for the preprocessing, analysis, and visualization of lipidomics data.

Quantify lipids using a feature table and internal standards table

💻 Automatic lipid mapping topology writer