Monday, 29 July 2013

Some reflections on computer-aided drug design (after attending CADD Gordon conference)

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I’ve just returned to Trinidad where I’ve been spending the summer.   I was in the USA at the Computer-Aided Drug Design (CADD) Gordon Con...
2 comments:
Sunday, 14 July 2013

Prediction of alkane/water partition coefficients

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Those of you who follow this blog will know that I have a long standing interest in alkane/water partition coefficient and I’d like to tel...
Friday, 26 April 2013

Thermodynamics and molecular interactions

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So it’s #RealTimeChem week on twitter and I thought I’d get into the spirit with a blog post.   The article that I’ve selected for review ...
1 comment:
Tuesday, 9 April 2013

Unknown knowns and binding kinetics

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I hope that you all enjoyed the April Fool post but now it’s time to get back to business.   Before returning to Thermodynamics , I’d like...
Monday, 1 April 2013

Isotopic enrichment by recrystallisation from water

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|| next >> Isotopic enrichment doesn’t normally fall under the molecular design remit.   However, a radically new approach has bee...
4 comments:
Thursday, 28 March 2013

Efficient Voodoo Thermodynamics

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So you’ve got a little data analysis problem.   You have some compounds with a range of IC 50 values and you’d like to explore the extent ...
Sunday, 17 March 2013

The wrong kind of free energy

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It has been some time since I last blogged.   There has been the distraction of a little drug-likeness project and there is still much to d...
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