Delemotte, Lucie

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

Cournia, Z., Allen, T. W., Andricioaei, I., Antonny, B., Baum, D., Brannigan, G., Buchete, N.-V., Deckman, J. T., Delemotte, L., del Val, C., et al. (2015) · The Journal of Membrane Biology

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 235

Molecular Insights from Conformational Ensembles via Machine Learning

Fleetwood, O., Kasimova, M. A., Westerlund, A. M., & Delemotte, L. (2020) · Biophysical Journal

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 93

Molecular basis of proton sensing by G protein-coupled receptors

Howard, M. K., Hoppe, N., Huang, X.-P., Mitrovic, D., Billesbølle, C. B., Macdonald, C. B., Mehrotra, E., Rockefeller Grimes, P., Trinidad, D. D., Delemotte, L., et al. (2025) · Cell

Receptor Mechanisms and SignalingProtein Kinase Regulation and GTPase Signaling

Cited by 77

Reconstructing the transport cycle in the sugar porter superfamily using coevolution-powered machine learning

Mitrovic, D., McComas, S. E., Alleva, C., Bonaccorsi, M., Drew, D., & Delemotte, L. (2023) · eLife

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 31

Reconstructing the transport cycle in the sugar porter superfamily using coevolution-powered machine learning

Mitrovic, D., Comas, S. M., Alleva, C., Bonaccorsi, M., Drew, D., & Delemotte, L. (2022) · eLife

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 31

Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain

Chi, G., Liang, Q., Sridhar, A., Cowgill, J. B., Sader, K., Radjainia, M., Qian, P., Castro-Hartmann, P., Venkaya, S., Singh, N. K., et al. (2022) · Nature Communications

Ion channel regulation and functionCardiac electrophysiology and arrhythmias

Cited by 28

Coevolution-Driven Method for Efficiently Simulating Conformational Changes in Proteins Reveals Molecular Details of Ligand Effects in the β2AR Receptor

Mitrovic, D., Chen, Y., Marciniak, A., & Delemotte, L. (2023) · The Journal of Physical Chemistry B

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 10

Coevolution-driven method for efficiently simulating conformational changes in proteins reveals molecular details of ligand effects in the β2AR receptor

Mitrovic, D., Chen, Y., Marciniak, A., & Delemotte, L. (2023) · The Journal of Physical Chemistry B

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 10

Markov State Modelling Reveals Heterogeneous Drug-Inhibition Mechanism of Calmodulin

Westerlund, A. M., Sridhar, A., Dahl, L., Andersson, A., Bodnar, A.-Y., & Delemotte, L. (2022) · PLoS Computational Biology

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 6

Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin

Westerlund, A. M., Sridhar, A., Dahl, L., Andersson, A., Bodnar, A.-Y., & Delemotte, L. (2022) · PLOS Computational Biology

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 6

Lipid-facilitated opening of the ADAM10 sheddase revealed by enhanced sampling simulations

Schahl, A., Haloi, N., Carroni, M., Zhang, S., Sattentau, Q. J., Sezgin, E., Delemotte, L., & Howard, R. J. (2025) · Advanced Science

Protease and Inhibitor MechanismsProtein Structure and Dynamics

Cited by 3