Molecular Design
Controlling the behavior of compounds and materials by manipulation of molecular properties.
Friday, 30 November 2018
Ligand efficiency and fragment-to-lead optimizations
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The third annual survey (F2L2017) of fragment-to-lead (F2L) optimizations was published last week. Given that it was the second survey ...
4 comments:
Sunday, 14 October 2018
A PAINful itch
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I've been meaning to take a look at the Seven Year Itch (SYI) article on PAINS for some time. SYI looks back over the the preceding 7...
1 comment:
Sunday, 7 October 2018
More hydrogen bonding asymmetries
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<< Previous I examined an article on the polarized nature of protein-ligand binding interfaces previously and promised that I...
2 comments:
Sunday, 30 September 2018
Hydrogen bonding asymmetries
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Next >> Have you ever wondered why the Rule of 5 (Ro5) specifies hydrogen bond (HB) thresholds of 10 acceptors but only 5 donor...
2 comments:
Thursday, 13 September 2018
On the Nature of QSAR
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With EuroQSAR2018 fast approaching, I'll share some thoughts from Brazil since I won't be there in person. I've not got any QS...
Saturday, 7 April 2018
Hammett
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I first became aware of Louis Hammett during the third term of my first year as an undergraduate at the University of Reading. Hammett was...
Sunday, 1 April 2018
The maximal quality of molecular interactions
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<< previous || next >> There is a lot more to drug design than maximization of affinity and the key to successful design is a...
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