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

por Öhlknecht, Christoph, Perthold, Jan Walther, Lier, Bettina, Oostenbrink, Chris
Publicado 2020

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

por Lier, Bettina, Poliak, Peter, Marquetand, Philipp, Westermayr, Julia, Oostenbrink, Chris
Publicado 2022

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

por Michlits, Hanna, Lier, Bettina, Pfanzagl, Vera, Djinović-Carugo, Kristina, Furtmüller, Paul G., Oostenbrink, Chris, Obinger, Christian, Hofbauer, Stefan
Publicado 2020

Reaction intermediate rotation during the decarboxylation of coproheme to heme b in C. diphtheriae

por Sebastiani, Federico, Michlits, Hanna, Lier, Bettina, Becucci, Maurizio, Furtmüller, Paul G., Oostenbrink, Chris, Obinger, Christian, Hofbauer, Stefan, Smulevich, Giulietta
Publicado 2021

PROFICS: A bacterial selection system for directed evolution of proteases

por Kröß, Christina, Engele, Petra, Sprenger, Bernhard, Fischer, Andreas, Lingg, Nico, Baier, Magdalena, Öhlknecht, Christoph, Lier, Bettina, Oostenbrink, Chris, Cserjan-Puschmann, Monika, Striedner, Gerald, Jungbauer, Alois, Schneider, Rainer
Publicado 2021