Happy to present our preprint on automated #naturalproducts #classification with Hyonwoo Kim, Ming Wang, Pieter Dorrestein, Louis-Félix, Kang, Kyo Bin, GerwickLab, and Garrison Cottrell! 😎 This will underpin many #genomics and #metabolomics workflows! 😎 chemrxiv.org/articles/prepr…

Targeted Isolation of Cytotoxic Sesquiterpene Lactones from Eupatorium fortunei by the NMR Annotation Tool, SMART 2.0 pubs.acs.org/doi/10.1021/ac…

Gerwick Lad saying Auf wiedersehen to Raphael Reher and pier swim party 2020. Fun times with masks and without @MooreLabSIO @Pdorrestein Dr. Kaitlin Creamer Scripps Institution of Oceanography Jack A Gilbert (he/him/his) @knightLabNews GNPS - UC San Diego SMART NMR

SMART, DP4-AI and now NP-MRD. Exciting times for NP discovery!

Currently we get on avg 5% (10-20%for human samples) annotation rates in untargeted #metabolomics. This wonderful collaboration with @boeckerlab provides a structural classification strategy leveraging classyfire ontology David S. Wishart for MS/MS that do not have annotations. 1/2

2/2 we are now adapting CANOPUS to accommodate the new NPclassifier ontology chemrxiv.org/articles/prepr… to make results intuitive to the natural product community. Thanks to the reviewers as well as the editors for providing terrific feedback and editing the final paper.

pubs.acs.org/doi/10.1021/ac… Please see the result of the Gerwick lab efforts to learn more about this COVID-19 pandemic and the role that natural products might play in developing a new therapeutic, beginning around the stay-at-home orders in Spring 2020.

biorxiv.org/content/10.110… Please check out this latest publication on anti-SARS-CoV-2 activity of the gallinamide A compound. Quite inspiring discoveries!

Great PhD opportunity with a great natural products scientist in a beautiful city - highly recommended!

SMART-Miner is available on Google Colab; colab.research.google.com/drive/1d_oOze0…

Wondering about building block delivery functions of enzyme cofactors in natural product biosynthetic pathways? Check our Perspectives Article JACS Au just published today: pubs.acs.org/doi/10.1021/ja…

Insights into the Metabolomic Capacity of Podaxis and Isolation of Podaxisterols A–D, Ergosterol Derivatives Carrying Nitrosyl Cyanide-Derived Modifications pubs.acs.org/doi/10.1021/ac…

New Atlas DB release (v2022_09) out today including all user deposited corrections and submissions, and ~1,000 new compounds to align with the upcoming release of MIBiG 3.0 by Marnix Medema Barbara Terlow and the MIBiG team.

Looking for a new PhD student, who is passionate for natural products, their biosynthesis and ecology in a DFG-funded collaboration project on specialized metabolites in a plant-bacterium symbiosis with Aurelien Carlier! Please RT and pass on to anyone who might be interested!

Radical SAM Oxygenase for the Ether Crosslinking in Darobactin #Biosynthesis by H. Nguyen, D. Kresna, N. Böhringer, J. Ruel, E. de la Mora, J.-C. Kramer, K. Lewis, Y. Nicolet, T. Schäberle, K. Yokoyama Yokoyama lab Duke Department of Biochemistry in J. Am. Chem. Soc. pubs.acs.org/doi/10.1021/ja…

Dear Users, we apologize for the SMART website accessing issue recently. It seems Chrome users with certain web browser settings are denied access to the website. We are trying to solve this issue and bring back the website for everyone to use.

NPOmix: a machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters Tiago Leão Ming Wang Justin van der Hooft Anelize Bauermeister Pieter Dorrestein et al. academic.oup.com/pnasnexus/adva…

Go Mehdi Beniddir!! #ICNPR2024