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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Felix Brandt

5 results in Authors: Felix Brandt

Theoretical and Computational Chemistry

Efficient automatic construction of atom-economical QM regions with point-charge variation analysis

Felix Brandt, Christoph Jacob

Version 2 posted 24 April 2023

150

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Theoretical and Computational Chemistry

Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification

Felix Brandt, Christoph Jacob

Version 2 posted 10 January 2022

464

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Biological and Medicinal Chemistry

Nucleoside Phosphorylases Make N7-Xanthosine, the “Non-native” Regioisomer of Xanthosine

Sarah Westarp, Felix Brandt, Lena Neumair, Christina Betz, Amin Dagane, Sebastian Kemper, Christoph R. Jacob, Peter Neubauer, Anke Kurreck, Felix Kaspar

Version 1 posted 25 October 2023

205

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Theoretical and Computational Chemistry

Protein network centralities as descriptor for QM region construction in QM/MM simulations of enzymes

Felix Brandt, Christoph Jacob

Version 2 posted 11 July 2023

127

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Biased Borate Esterification during Nucleoside Phosphorylase-Catalyzed Reactions: Apparent Equilibrium Shifts and Kinetic Implications

Felix Kaspar, Felix Brandt, Sarah Westarp, Lea Eilert, Sebastian Kemper, Anke Kurreck, Peter Neubauer, Christoph Jacob, Anett Schallmey

Version 1 posted 06 April 2022

337

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1

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