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Active Search for Computer-aided Drug Design.
Oglic D, Oatley SA, Macdonald SJF, Mcinally T, Garnett R, Hirst JD, Gärtner T. Oglic D, et al. Among authors: hirst jd. Mol Inform. 2018 Jan;37(1-2). doi: 10.1002/minf.201700130. Epub 2018 Feb 1. Mol Inform. 2018. PMID: 29388736
Molecular Simulation of αvβ6 Integrin Inhibitors.
Guest EE, Oatley SA, Macdonald SJF, Hirst JD. Guest EE, et al. Among authors: hirst jd. J Chem Inf Model. 2020 Nov 23;60(11):5487-5498. doi: 10.1021/acs.jcim.0c00254. Epub 2020 Jun 2. J Chem Inf Model. 2020. PMID: 32421320
Kernel Methods for Predicting Yields of Chemical Reactions.
Haywood AL, Redshaw J, Hanson-Heine MWD, Taylor A, Brown A, Mason AM, Gärtner T, Hirst JD. Haywood AL, et al. Among authors: hirst jd. J Chem Inf Model. 2022 May 9;62(9):2077-2092. doi: 10.1021/acs.jcim.1c00699. Epub 2021 Oct 26. J Chem Inf Model. 2022. PMID: 34699222 Review.
Search strategies in structural bioinformatics.
Oakley MT, Barthel D, Bykov Y, Garibaldi JM, Burke EK, Krasnogor N, Hirst JD. Oakley MT, et al. Among authors: hirst jd. Curr Protein Pept Sci. 2008 Jun;9(3):260-74. doi: 10.2174/138920308784534032. Curr Protein Pept Sci. 2008. PMID: 18537681 Review.
Machine learning in virtual screening.
Melville JL, Burke EK, Hirst JD. Melville JL, et al. Among authors: hirst jd. Comb Chem High Throughput Screen. 2009 May;12(4):332-43. doi: 10.2174/138620709788167980. Comb Chem High Throughput Screen. 2009. PMID: 19442063 Review.
135 results