Bettina Lier

BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network/Molecular Mechanics Simulations

Bettina Lier, Peter Poliak, Philipp Marquetand et al. · The Journal of Physical Chemistry Letters · 2022 · 41 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

Correcting electrostatic artifacts due to net‐charge changes in the calculation of ligand binding free energies

Christoph Öhlknecht, Bettina Lier, Dražen Petrov et al. · Journal of Computational Chemistry · 2020 · 36 citations · Full text

Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation

Hanna Michlits, Bettina Lier, Vera Pfanzagl et al. · ACS Catalysis · 2020 · 28 citations · Full text

CASPON platform technology: Ultrafast circularly permuted caspase-2 cleaves tagged fusion proteins before all 20 natural amino acids at the N-terminus

Nico Lingg, Christina Kröß, Petra Engele et al. · New Biotechnology · 2022 · 26 citations · Full text

Protein Assembly, Molecular Biology, Protein Synthesis +22

Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest–Host Systems

Christoph Öhlknecht, Jan Walther Perthold, Bettina Lier et al. · Journal of Chemical Theory and Computation · 2020 · 24 citations · Full text