Workflow for LC-MS feature analysis and spatial mapping

BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python Package)

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.

PepFoot: a user friendly GUI for protein footprinting analysis

Description of work done at Merck pharmaceutical company in the summer of 2018 as a Computational Drug Discovery Intern at West Point, PA. Information excludes all proprietary information belonging to Merck & Co.

Galaxy tools for BEAMSpy: Birmingham mEtabolite Annotation for Mass SpectroMetry (Python Package)

High Resolution Software for Mass Spectrometry

Application for the handling and simplification of putative annotations in untargeted metabolomics analysis based on LC/ESI-MS

Acquire & filter mass spectral libraries based on sample taxonomy

Python & R scripts collection for AdipoAtlas project