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Pymol and very large PDB files. The Zika Cryo-EM structure as a case study
One of my major research interests is the Flavivirus group of viruses. In our work at the University of Queensland we’ve been involved in developing inhibitors of viral proteins associate with Dengue...
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Why I unfollowed @scienmag
So here’s the thing. A few people have been tweeting sciencey-looking articles into my timeline of late, which come from the website scienmag.com which bills itself as Science Magazine, and the Twitter...
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ChemDraw 16: A first look
I got my hands on the shipping version of ChemDraw 16 last week and so have been busily assembling factoids and tweeting a bit about it over at @MartinStoermer First things first. My test platform is a...
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ChemDraw 16, a second look: Running under MacOS Sierra
A quick update on my earlier post. I have managed to get ChemDraw 16 running on MacOS 10.12.1 Sierra. I installed Sierra on an external USB self powered hard disk, so performance is a bit slow but the...
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New initiative: The Molecular Sciences Software Institute (MolSSI), based at...
“A new computational chemistry software institute, the first of its kind funded by the National Science Foundation, aims to bring software development in the field up to speed with rapid advances in...
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Major upgrade to WebCSD – The small molecule crystal structure database
[Update 16th June: Added Note about Pymol 1.8.4] The new version of WebCSD has arrived and with it, a few new important features, such as improved substructure searching, and advanced text searching....
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ChemDraw 17: Faster editing, new features, still works with Word
Hands on with ChemDraw 17 Continue reading →
View ArticleThe long and winding road to a published paper (and lovely crystal structures)
Dedicated to Professor Allan White 1938 – 2016 This years theme #ChemTogether is all about our chemistry community. I’ve chosen this year to talk about our recent paper and how it came to be, and...
View ArticleNo, Pfizer’s PF-07321332 (Nirmatrelvir/Paxlovid) is not a repackaged cat drug...
There continue to be social media arguments that the recently approved Pfizer SARS-CoV-2 antiviral drug Pavloxid is “an analog of GC373”, and some of these have spilled over into mainstream media....
View ArticleChemDraw price jumps 500%
OK rather than string a bunch of tweets together I’m going to try and collect my thoughts here. This page will be evolving over the course of the weekend. Forgive me if it seems a bit...
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