Workshops
Saturday August 2, 2025
(Subject to change)
AMWS1 - 9:00am - 12:00pm - TBD
AMWS2 - 9:00am - 11:00am - A Crash Course in Mass Spectrometry, NMR, Genetics, and API-Driven Natural Product Informatics
Dive into the core of natural product informatics with an intensive, hands-on workshop focused on mass spectrometry (MS), nuclear magnetic resonance (NMR), and application programming interfaces (APIs) in python. Using Surugamide A as a case study, we will guide participants through the full process of interpreting MS and NMR data to uncover chemical structures and biosynthetic gene clusters. Participants will gain exposure to databases such as GNPS, NP-MRD, NP Atlas, and MIBiG to extract and analyze commonly encountered natural product experimental data. Additionally, we'll explore how FAIR data and APIs can streamline data access and integration, enabling faster and more comprehensive natural product research. This short bootcamp is designed to provide practical skills for leveraging MS, NMR, and bioinformatics tools to advance your natural product discovery workflow.
Workshop Leaders:
PMWS1 - 1:30pm - 4:30pm - All About the Natural Products Magnetic Resonance Database (NP-MRD)
The Natural Products Magnetic Resonance Database (NP-MRD) is an open, comprehensive database and repository for natural products NMR data whose mission is to facilitate research and discovery through engagement and partnership with the worldwide natural products community. This interactive workshop will begin with a brief tour through the main features of the NP-MRD. Next, participants will test-drive capabilities for search, retrieval, prediction, and visualization of natural products and their structures, together with the associated experimental, predicted, and simulated NMR data and spectra. We will explore how these capabilities can be used to help solve problems in dereplication and identification of natural products, both as crude mixtures or purified preparations. The workshop will conclude with a hands-on demonstration of the raw data deposition interface wherein participants can deposit real NMR data (FIDs) of natural products they have either collected themselves or that has been supplied by the workshop leaders.
Workshop Leaders:
PMWS2 - 1:30pm - 4:30pm - How DFT Calculations Can Expedite and Strengthen your Natural Products Structural Identification Efforts
Workshop Leaders: