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Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein doi.org/10.1101/2020.0… #glycotime

The SARS-COV-2 Spike Protein Binds Sialic Acids, and Enables Rapid Detection in a Lateral Flow Point of Care Diagnostic Device doi.org/10.26434/chemr… via Figshare

Woohoo!

Multiscale simulations examining glycan shield effects on drug binding to influenza neuraminidase doi.org/10.1101/2020.0… #glycotime

I'm launching CellSpace, a guided workshop for cellular and molecular SciArt. Information at: ccsb.scripps.edu/goodsell/cells… . Please look carefully at the prerequisites & ground rules, and if this looks like something useful for you, send me an e-mail and I'll get you signed up.

We have an exciting position open for a computational chemist in Toledo, Spain. A range of experience is acceptable, from PhD PD onwards. Lots of chance to work on projects and with an engaged and motivated team on site. #chemjobs #compchem jobs.jnj.com/jobs/200584479…

Science has moved at unprecedented speed this year. These are the biggest breakthroughs of 2020 ⬇️  wellc.me/37hjZUY

I'm E. Tag yourself.

Big congrats to Ebru and Fai (or should I say, Dr Aksanoglu and Dr Alkathiri) on successfully defending their PhDs!

Also, nice work from Ebru just out on discovering that vanadium catalysts can handle deoxydehydration of awkward but important cyclic trans-diol substrates …mistry-europe.onlinelibrary.wiley.com/doi/full/10.10…

phys.org/news/2021-03-h…

We just flew. ON MARS!!! #MarsHelicopter

🤯

ISOLDE can now use AlphaFold's confidence in its own predictions to adjust the weight of each distance and torsion restraint. Confident sites get strong, wide-ranging restraints, less confident restraints are weaker and "fuzzier". Fixes most simple problems trivially. (2/11)

I am honored by this wonderful award and thankful to the Society for Glycobiology …. And to all my colleagues and friends for super collaboration who bring me here 🥰🥰

Probing the effect of NEK7 and cofactor interactions on dynamics of NLRP3 monomer using molecular simulation onlinelibrary.wiley.com/doi/10.1002/pr…

A Selective Review and Virtual Screening Analysis of Natural Product Inhibitors of the NLRP3 Inflammasome mdpi.com/1842398 #mdpimolecules via Molecules MDPI

Modeling pyranose ring pucker in carbohydrates using machine learning and semi‐empirical quantum chemical methods onlinelibrary.wiley.com/doi/10.1002/jc…

Glycan Conformation in the Heavily Glycosylated Protein, CEACAM1 pubs.acs.org/doi/10.1021/ac…

Should someone tell them?