Standard states and solution thermodynamics
Fragment-Based Drug Discovery & Molecular Design,
Readers of this blog know that, on more than one occasion, I have denounced the ligand efficiency metric as physically…
Readers of this blog know that, on more than one occasion, I have denounced the ligand efficiency metric as physically…
A theory has only the alternative of being true or false.A model has a third possibility: it may be true, but irrelevant.With…
A couple of months ago I enjoyed a visit to the US (my first for eight years) on which I caught up with old friends before and…
One piece of advice I gave in NoLE is that “drug designers should not automatically assume that conclusions drawn from analysis…
jcheminf.biomedcentral.com - Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling…
Paramin panoramaCrystallographic fragment screens have been run recently against the main protease (at Diamond) and the Nsp3…
<< previous || next >> “Just take the ball and throw it where you want to. Throw strikes. Home plate don’t move.” Satchel Paige …
It’s been ages since the last blog post. I’d been thinking of marking my return with an April Fools post but this didn’t seem…
The year ends, and with it the awkward teenage phase of the twenty-first century. As we have done since 2012, we're using this…
I'll examine an article entitled ‘Mapping the Efficiency and Physicochemical Trajectories of Successful Optimizations’ (YL2018…
I've started using Figshare and have uploaded my first two harangues. I did a talk on ligand efficiency at Evotec UK that was…
First they ignore you, then they laugh at you, then they fight you, then you win(Sometimes attributed to Mahatma Gandhi)It's…