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QM/MM study of the taxadiene synthase mechanism.
van Rijn JPM, Escorcia AM, Thiel W. van Rijn JPM, et al. J Comput Chem. 2019 Aug 5;40(21):1902-1910. doi: 10.1002/jcc.25846. Epub 2019 May 6. J Comput Chem. 2019. PMID: 31062376
Molecular dynamics study of taxadiene synthase catalysis.
Escorcia AM, van Rijn JPM, Cheng GJ, Schrepfer P, Brück TB, Thiel W. Escorcia AM, et al. Among authors: van rijn jpm. J Comput Chem. 2018 Jul 15;39(19):1215-1225. doi: 10.1002/jcc.25184. Epub 2018 Feb 15. J Comput Chem. 2018. PMID: 29450907