Molecular Design
Controlling the behavior of compounds and materials by manipulation of molecular properties.
Friday, 1 April 2022
Enthalpic fragments
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<< previous || next >> Enthalpy-driven binding has been presented as a rationale for screening fragments although some have ar...
Tuesday, 12 January 2021
Tom Lehrer's guide to design of SARS-CoV-3 main protease inhibitors for treatment of COVID-32
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<< previous || next >> It’s been ages since my last COVID-19 post (How not to repurpose a 'drug') and I’ll kick blog...
1 comment:
Sunday, 9 August 2020
How not to repurpose a 'drug'
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<< previous || next >> I sometimes wonder what percentage of the pharmacopoeia will have been proposed for repurposing for ...
Sunday, 2 August 2020
Why fragments?
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Paramin panorama Crystallographic fragment screens have been run recently against the main protease (at Diamond ) and the Nsp3 macrodomain (...
4 comments:
Saturday, 18 July 2020
SARS-CoV-2 main protease. Crowdsourcing, peptidomimetics and fragments
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<< previous || next >> “Just take the ball and throw it where you want to. Throw strikes. Home plate don’t move.” Satchel P...
2 comments:
Wednesday, 27 May 2020
COVID-19 stuff
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|| next >> 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 ...
Wednesday, 29 May 2019
Transforming computational drug discovery (but maybe not)
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"A theory has only the alternative of being right or wrong. A model has a third possibility: it may be right, but irrelevant." ...
2 comments:
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