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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

There was apparently a very impressive talk from Sriram Subramaniamon cryo-electron microscopy (cryo-EM) at the Computer-Assisted Drug Design Gordon Conference, and I can well believe it. That field has grown tremendously in capabilities in recent years, and...
Everyone keeping up with the news will have heard about Sen. McCain’s diagnosis of glioblastoma multiformae (GBM). This is not good news at all; GBM is a very aggressive tumor type for which treatment options are poor. The contrast to ex-President Jimmy...
Very little time for blogging today (travel), but I wanted to pass on some words of wisdom from Kevan Shokat, from a recent Perspectives piece in Nature Reviews Cancer. Talking about chemical probes, and how to know if they’re valid enough to work with,...

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...