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Future Medicinal Chemistry|January 31, 2018
The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactionsMire Zloh, Stewart B KirtonACS Omega|November 7, 2022
In Silico Investigations into the Selectivity of Psychoactive and New Psychoactive Substances in Monoamine TransportersMichelle J Botha, Stewart B KirtonAdvanced Drug Delivery Reviews|March 30, 2002
Comparative modelling of cytochromes P450Stewart B Kirton, Carol A Baxter, Michael J SutcliffeCurrent Topics in Medicinal Chemistry|December 8, 2004
In silico methods for predicting ligand binding determinants of cytochromes P450Marcel J de Groot, Stewart B Kirton, Michael J SutcliffeJournal of Pharmaceutical and Biomedical Analysis|March 21, 2016
Elemental fingerprinting of Hypericum perforatum (St John's Wort) herb and preparations using ICP-OES and chemometricsJade D Owen, Stewart B Kirton, Sara J Evans, et al.Drug Testing and Analysis|March 31, 2022
NPS detection in prison: A systematic literature review of use, drug form, and analytical approachesGiorgia Vaccaro, Anna Massariol, Amira Guirguis, et al.Drug Testing and Analysis|February 7, 2025
Screening and Quantification of the Synthetic Cannabinoid Receptor Agonist 5F-MDMB-PINACA From Seized Prison Paper Using Ultraperformance Liquid Chromatography-Mass Spectrometry ApproachesGiorgia Vaccaro, Jacqueline L Stair, Stewart B Kirton, et al.Proteins|January 15, 2005
Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteinsStewart B Kirton, Christopher W Murray, Marcel L Verdonk, et al.Journal of Chemical Information and Modeling|February 1, 2008
De novo ligand design to partially flexible active sites: application of the ReFlex algorithm to carboxypeptidase A, acetylcholinesterase, and the estrogen receptorStuart Firth-Clark, Stewart B Kirton, Henriëtte M G Willems, et al.Journal of Chemical Information and Modeling|November 6, 2012
In silico prediction of aqueous solubility using simple QSPR models: the importance of phenol and phenol-like moietiesJogoth Ali, Patrick Camilleri, Marc B Brown, et al.Pageof 3