Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure

por Ries, Benjamin, Normak, Karl, Weiß, R. Gregor, Rieder, Salomé, Barros, Emília P., Champion, Candide, König, Gerhard, Riniker, Sereina
Publicado 2022

Glycan–protein interactions determine kinetics of N-glycan remodeling

por Mathew, Corina, Weiß, R. Gregor, Giese, Christoph, Lin, Chia-wei, Losfeld, Marie-Estelle, Glockshuber, Rudi, Riniker, Sereina, Aebi, Markus
Publicado 2021