Publications

Henrique F. Carvalho, Luuk Mestrom, Ulf Hanefeld, and Jürgen Pleiss. Beyond the Chemical Step: The Role of Substrate Access in Acyltransferase from Mycobacterium smegmatis. ACS Catal., (14):10077--10088, American Chemical Society, June 2024. [PUMA: EXC2075 PN2-6 PN3 PN3-6 curated] URL

Matthias Gültig, Jan P. Range, Benjamin Schmitz, and Jürgen Pleiss. Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data, (67)11:3340-3350, 2022. [PUMA: EXC2075 PN3 PN3-6 curated] URL

Xinmeng Xu, Jan Range, Gudrun Gygli, and Jürgen Pleiss. Analysis of Thermophysical Properties of Deep Eutectic Solvents by Data Integration. Journal of Chemical & Engineering Data, (65):1172 - 1179, 2020. [PUMA: EXC2075 PN3 PN3-6 curated merged]

HF Carvalho, V Ferrario, and Jürgen Pleiss. The molecular mechanism of methanol inhibition in CALB-catalyzed alcoholysis: analyzing molecular dynamics simulations by a Markov state model. J Chem Theory Comput, (17):6570 - 6582, 2021. [PUMA: EXC2075 PN3 PN3-6 curated]

G Gygli, XM Xu, and Jürgen Pleiss. Meta-analysis of viscosity of aqueous deep eutectic solvents and their components. Sci Rep, (10):21395 - 21395, 2020. [PUMA: PN3 curated PN3-6 EXC2075]

R Roddan, G Gygli, A Sula, D Mendez-Sanchez, J Pleiss, JM Ward, NH Keep, and HC Hailes. The acceptance and kinetic resolution of alpha-methyl substituted aldehydes by norcoclaurine synthases.. ACS Catal, (9):9640 - 9649, 2019. [PUMA: PN3 curated PN3-6 EXC2075]