Molecular Design

Controlling the behavior of compounds and materials by manipulation of molecular properties.

Wednesday, 27 September 2023

Five days in Vermont

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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 after a few d...
Wednesday, 26 July 2023

Blogger Meets Blogger

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Over the years I’ve had had some cool random encounters (some years ago I bumped into a fellow member of the Macclesfield diving club in the...
Tuesday, 18 July 2023

AI-based drug design?

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|| >> Next I’ll start this post by stressing that I’m certainly not anti-AI. I actually believe that drug design tools that are being ...
1 comment:
Thursday, 8 June 2023

Archbishop Ussher's guide to efficient selection of development candidates

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One piece of advice I gave in NoLE is that “drug designers should not automatically assume that conclusions drawn from analysis of large, s...
Saturday, 1 April 2023

A clear demonstration of the benefits of long residence time

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<< previous || next >> Residence time is a well-established concept in drug discovery and the belief that off-rate is more imp...
2 comments:
Wednesday, 22 February 2023

Structural alerts and assessment of chemical probes

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 << previous | I’ll wrap up (at least for now) the series of posts on chemical probes by returning to the use of cheminformatic model...
1 comment:
Wednesday, 15 February 2023

Frequent-hitter behavior and promiscuity

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I’ll be discussing promiscuity in this post and, if there’s one thing that religious leaders and drug discovery scientists agree on, it’s th...
7 comments:
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