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List of works by Stewart B. Kirton

De novo ligand design to partially flexible active sites: application of the ReFlex algorithm to carboxypeptidase A, acetylcholinesterase, and the estrogen receptor

scientific article published on 31 January 2008

Design and discovery of 3-aryl-5-substituted-isoquinolin-1-ones as potent tankyrase inhibitors

article

Detection of newly emerging psychoactive substances using Raman spectroscopy and chemometrics

scientific article published in 2018

Drowning in diversity? A systematic way of clustering and selecting a representative set of new psychoactive substances

scientific article published in 2017

Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6.

scientific article

In silico prediction of aqueous solubility using simple QSPR models: the importance of phenol and phenol-like moieties

scientific article

Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.

scientific article published in March 2005

Revisiting the general solubility equation: in silico prediction of aqueous solubility incorporating the effect of topographical polar surface area.

scientific article

SkelGen: a general tool for structure-based de novo ligand design

scientific article published in July 2006

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