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Marc A. Grundl

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2020 – today

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2021
[j3]
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Markus R. Hermann, Alexander Pautsch, Marc A. Grundl, Alexander Weber, Christofer S. Tautermann:
Covalent inhibitor reactivity prediction by the electrophilicity index - in and out of scope. J. Comput. Aided Mol. Des. 35(4): 531-539 (2021)
2020
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Ferruccio Palazzesi, Markus R. Hermann, Marc A. Grundl, Alexander Pautsch, Daniel Seeliger, Christofer S. Tautermann, Alexander Weber:
BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity. J. Chem. Inf. Model. 60(6): 2915-2923 (2020)

2010 – 2019

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2019
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Ferruccio Palazzesi, Marc A. Grundl, Alexander Pautsch, Alexander Weber, Christofer S. Tautermann:
A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides. J. Chem. Inf. Model. 59(8): 3565-3571 (2019)

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