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Derek Lowes commentary on drug discovery and the pharma industry. An editorially independent blog from the publishers of Science Translational Medicine.

Most recent posts

I wrote a couple of years ago here about the idea of making the blood-brain barrier more permeable by the use of focused ultrasound, in the presence of injected microbubbles. This would be a very useful thing if it works – as anyone who’s been concerned...
I’ll be taking a break this week, up through next Monday, while doing some traveling with the family. With any luck, we’ll see the total eclipse a week from now, unless the usual amateur astronomer’s luck is working, in which case we’ll...
I remember reading Barry Sharpless’ big “click” chemistry paper in 2001, where he proposed the term for reactions that take place rapidly, selectively, and without any outside reagents, and proposed such techniques for the rapid assembly of...

Most popular posts

When you screen a collection of compounds against a drug target, you have to be ready to deal with the fact that some fraction – and maybe it’s a large fraction – of the hit compounds are not really hits. They’re false positives of one...
The phrase “automatic chemical design” will generally get my attention, especially when it’s applied to drug-like molecules. And that’s one the the key parts of this paper, from researchers at Harvard, Toronto, and Cambridge. From what...
Pioneering chemist John D. (Jack) Roberts of Caltech has passed away, having made it to the age of 98 (!) When I wrote The Chemistry Book a couple of years ago, I was amazed to find that he was still alive, I have to confess, but if I’d done a literature...

Latest posts linking here

Deep learning (DL) is all the rage these days and this approach to predictive modeling is being applied to a wide variety of problems, including many in computational drug discovery. As a dilettante in the area of deep learning, I’ve been following papers...
The shocks just keep on coming. Monday brought news of University of Illinois computational chemist Klaus Schulten's demise. Schulten was a student of Martin Karplus who made great strides in using molecular dynamics to simulate the behavior of not just single...
A collection of small, useful things (links):Welcome to the new blog, The Analytical Perspective, posting about success in grad school.Via Retraction Watch, we have a few: RSC AdvancesJournal of Photochemistry and Photobiology BAnd more on the Fazlul...