Workshops
Saturday August 2, 2025
(Subject to change)
AMWS1 - 9:00am - 12:00pm - TBD
AMWS2 - 9:00am - 11:00am - TBD
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:
