Beat Anton Amrein

Force Field Independent Metal Parameters Using a Nonbonded Dummy Model

Fernanda Duarte, Paul Bauer, Alexandre Barrozo et al. · The Journal of Physical Chemistry B · 2014 · 169 citations · Full text

Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations

Paul Bauer, Alexandre Barrozo, Miha Purg et al. · SoftwareX · 2018 · 81 citations · Full text

Modeling catalytic promiscuity in the alkaline phosphatase superfamily

Fernanda Duarte, Beat Anton Amrein, Shina Caroline Lynn Kamerlin · Physical Chemistry Chemical Physics · 2013 · 55 citations · Full text

Enzyme Function, Biochemistry, Biomolecular Structure Prediction +14

Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes

Beat Anton Amrein, Paul Bauer, Fernanda Duarte et al. · ACS Catalysis · 2015 · 51 citations · Full text

Conformational diversity and enantioconvergence in potato epoxide hydrolase 1

Paul Bauer, Åsa Janfalk Carlsson, Beat Anton Amrein et al. · Organic & Biomolecular Chemistry · 2016 · 29 citations · Full text