Effect of Ca2+ on the promiscuous target-protein binding of calmodulin. - Annie M. Westerlund; Lucie Delemotte (PLoS Comput. Biol., 2018)

Sharing Data from Molecular Simulations. - Mark James Abraham; Rossen Apostolov; Jonathan Barnoud; Paul Bauer; Christian Blau; Alexandre M. J. J. Bonvin; Matthieu Chavent; John D. Chodera; Karmen Condic-Jurkic; Lucie Delemotte; Helmut Grubmüller; Rebecca J. Howard; et al. (J. Chem. Inf. Model., 2019)

Allosteric Effect of Nanobody Binding on Ligand-Specific Active States of the β2 Adrenergic Receptor. - Yue Chen; Oliver Fleetwood; Sergio Pérez-Conesa; Lucie Delemotte (J. Chem. Inf. Model., 2021)

Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin. - Annie M. Westerlund; Akshay Sridhar; Leo Dahl; Alma Andersson; Anna-Yaroslava Bodnar; Lucie Delemotte (PLoS Comput. Biol., 2022)