[ccp4bb] Project Scientist and Postdoctoral research positions in XFEL, ML, and material science computational methods

2021-08-18 Thread Aaron Brewster
Hello, I'm excited to announce that two positions are immediately open in my group in the fields of material science, serial X-ray crystallography, and machine learning. Links to postings: Computational Project Scientist - https://lbl.taleo.net/careersection/2/jobdetail.ftl?job=93507 Computational

Re: [ccp4bb] malonate and histidine interaction

2021-08-18 Thread Jon Cooper
No problem, it would be interesting to refine it as a tricarboxy methane amide of the His imidazole. More info on 2-carboxyl malonic acid here: https://pubchem.ncbi.nlm.nih.gov/compound/Methanetricarboxylic-acid Cheers, Jon.C. Sent from ProtonMail mobile Original Message On 1

[ccp4bb] Postdoctoral research opportunity

2021-08-18 Thread Brian Mark
Hello everyone, A postdoc position is available in my lab to study the structural biology of infectious and genetic diseases. Projects with crystals in-hand are available in two areas: 1) Inhibitor design projects targeting coronavirus proteases and proteases of related viruses, 2) Structure/

Re: [ccp4bb] malonate and histidine interaction

2021-08-18 Thread Ana Ebrecht
Hello Jon, Thanks for the comments. Yes, the His is part of the active site, and the distances are very close, like a covalent bond. That's why I was wondering if the malonate can be bound to the His. We tried to model the malonate in the different conformation, but that didn't work. But I'll chec