Another new fold! The capsid of Cyanophage Mic1, solved by #cryoem is made up of 2 different proteins. One, the cement protein, has a novel fold. Structure published in Structure PDBe.org/6j3q

MD simulations and electrophysiology shed light on the action of glutamate transporters. #structuresonthecover of The EMBO Journal based on P. horikoshii glutamate transporter homolog structure (and others) ebi.ac.uk/pdbe/pdbe-kb/p…

The neurexophilin–neurexin complex has a unique, extensive binding interface forming an extended jelly‐roll β‐sandwich. Published The EMBO Journal it's one of the new structures today at PDBe.org/latest

The 2019 #NobelPrize in Chemistry has been awarded to John B. Goodenough, M. Stanley Whittingham and Akira Yoshino “for the development of lithium-ion batteries.”

We recently released this giant structure of the bacteriophage P68, solved by #cryoEM by the Plevka Lab. Hear about how bacteriophages work in the tweet below, or view the structure at PDBe.org/6q3g/3d #merrymolecularxmas

You can get these systems at our COVID-19 Archive: charmm-gui.org/docs/archive/c… youtube.com/channel/UCtHN7…

There are 32 new #COVID19 PDB entries this week, including these #cryoEM structures, highlighting multiple conformations of the spike glycoprotein receptor binding domain, solved by Richard Henderson's group @MRC_LMB. View all #SARS-CoV-2 structures at PDBe.org/COVID19

doi.org/10.1021/acs.jp…

100 µs MD simulation of the apo papain-like protease of #SARSCoV2 started from PDB 6WX4 with the covalent inhibitor removed to generate an apo structure. Structure is fairly stable with some motion in the µs timescale in the loops and terminal residues. deshawresearch.com/downloads/down…

Our study on the mechanistic basis of functional diversity in GPCR-beta-arrestin signaling has just appeared online in EMBO Reports. Key phosphorylation sites in GPCRs orchestrate the contribution of β‐Arrestin1 in ERK1/2 activation. embopress.org/doi/abs/10.152…

GlycanStructure.ORG is the sister website of CHARMM-GUI, developed for structure-based computational glycobiology.

Cool or apocalyptic images based on our simulations, and trajectories are available in CHARMM-GUI COVID-19 Archive. Feel free to use them with credit to “Dr. Yeol Kyo Choi in the Im lab at Lehigh University”. doi.org/10.1021/acs.jc…

Our structure of dynein-dynactin on microtubules is now out in nature! Thanks to Janet Iwasa for this beautiful movie showing how cargos might use pairs of adaptors to recruit their motors. nature.com/articles/s4158…

I've spent hours experimenting with using multiple large language models (LLMs) such as Bard AI, GPT-4, GPT-3.5 and Bing AI for academic research. They're extremely powerful but with some very painful pitfalls. Here's my guide to using LLMs as your personal research assistant:

New paper alert 📢 Excited to share our recent work now live! We report AlphaFold2's impact on the autophagy pathway. Work led by Nidhi Katyal Shantanu Khatri and great support from our experimental collaborator niyati jain Thread below on our scientific findings.

Excited to report our latest findings, now published! ARL8B mediates lipid droplet contact and delivery to lysosomes for lipid remobilization: Cell Reports cell.com/cell-reports/f…

Proud to share the result of an amazing collaboration with Javi Fernandez-Martinez, Rout Lab , and Elizabeth Villa ! biorxiv.org/content/10.110… Congrats to Digvijay Singh Neelesh Soni Josh Hutchings Ignacia Echeverria and the team! And check out the video by Neelesh Soni ! #NPC

Navigating the seas of science and the waters of Tomales Bay! Having a blast at the lab retreat.