Lucie Delemotte

Assistant Professor of Biophysics
Department of Applied Physics
KTH Royal Institute of Technology



Lucie graduated from the Université de Lorraine in France in 2011, where she did her PhD under the supervision of Mounir Tarek. She was a post doc and a Marie Curie fellow in the group of Mike Klein at Temple University in the USA and in the group of Ursula Roethlisberger at EPFL in Switzerland. Her main research focus is on mechanisms of membrane transport and of allosteric regulation and the development of protocols that enable to describe these phenomena in a quantitative manner.

Projects: Membrane-Protein Modeling

Group Members






Molecular basis for voltage sensitivity in membrane proteins MA Kasimova, E Lindahl and L Delemotte, BioRXiv, DOI: 1

Gating interaction maps reveal a noncanonical electromechanical coupling mode in the Shaker Kchannel AI Fernández-Mariño, TJ Harpole, K Oelstrom, L Delemotte and B Chanda, Nat. Struct. Mol. Biol. DOI: 10.1038/s41594-018-0047-3

Effect of Ca2+ on the promiscuous target-protein binding mechanism of calmodulin A Westerlund, L Delemotte, PloS Comp Biol, DOI: 10.1371/journal.pcbi.1006072

Exploring the Viral Channel KcvPBCV‑1 Function via Computation AEV Andersson, MA Kasimova, L Delemotte, J. Memb. Biol. DOI: 10.1007/s00232-018-0022-2

Studying Kv Channels Function using Computational Methods A Deyawe, MA Kasimova, L Delemotte, G Loussouarn, M Tarek Potassium Channels, 321-341


Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport RJ Howard, V Carnevale, L Delemotte, UA Hellmich, BS Rothberg, BBA Biomem. DOI: 10.1016/j.bbamem.2017.12.013

Inference of Calmodulin’s Ca2+-Dependent Free Energy Landscapes via Gaussian Mixture Model Validation AM Westerlund, TJ Harpole, C Blau and L Delemotte, J. Chem. Theor. Comp. DOI: 10.1021/acs.jctc.7b00346

Conformational landscapes of membrane proteins delineated by enhanced sampling molecular dynamics simulations TJ Harpole, L Delemotte, BBA Biomem. DOI: 10.1016/j.bbamem.2017.10.033

Gating Pore Currents in Sodium Channels JR Groome, A Moreau and L Delemotte  In: Handbook of Experimental Pharmacology. Springer, Berlin, Heidelberg. DOI: 10.1007/164_2017_54

Molecular simulations and free-energy calculations suggest conformation-dependent anion binding to a cytoplasmic site as a mechanism for Na+/K+-ATPase ion selectivity AM RazaviL DelemotteJR Berlin, V Carnevale and VA Voelz, J. Biol. Chem. DOI: 10.1074/jbc.M117.779090


On the role of water density fluctuations in the inhibition of a proton channel E GiantiL Delemotte, ML Klein and V Carnevale, Proceedings of the National Academy of Sciences, DOI: 10.1073/pnas.1609964114

Does proton conduction in the voltage-gated H+ channel hHv1 involve grotthuss-like hopping via acidic residues? S C van Keulen, E Gianti, V Carnevale, ML Klein, U Rothlisberger and L Delemotte, J. Phys. Chem. B, DOI: 10.1021/acs.jpcb.6b08339

Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin K Elokely, P Velisetty, L Delemotte, E Palovcak, ML Klein, T Rohacs, … Proceedings of the National Academy of Sciences 113 (2), E137-E145


Canine CNGA3 Gene Mutations Provide Novel Insights into Human Achromatopsia-Associated Channelopathies and Treatment N Tanaka, EV Dutrow, K Miyadera, L Delemotte, CM MacDermaid, … PloS one 10 (9), e0138943

Characterization of the honeybee AmNav1 channel and tools to assess the toxicity of insecticides P Gosselin-Badaroudine, A Moreau, L Delemotte, T Cens, C Collet, … Scientific reports 5

Comparative sequence analysis suggests a conserved gating mechanism for TRP channels E Palovcak, L Delemotte, ML Klein, V Carnevale The Journal of general physiology 146 (1), 37-50

Gating pore currents are defects in common with two Nav1. 5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy A Moreau, P Gosselin-Badaroudine, L Delemotte, ML Klein, M Chahine The Journal of general physiology 145 (2), 93-106

Free-energy landscape of ion-channel voltage-sensor–domain activation L Delemotte, MA Kasimova, ML Klein, M Tarek, V Carnevale Proceedings of the National Academy of Sciences 112 (1), 124-129


Voltage-gated ion channel modulation by lipids: Insights from molecular dynamics simulations MA Kasimova, M Tarek, AK Shaytan, KV Shaitan, L Delemotte Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (5), 1322-1331

Evidence of conducting hydrophobic nanopores across membranes in response to an electric field F Dehez, L Delemotte, P Kramar, D Miklavčič, M Tarek The Journal of Physical Chemistry C 118 (13), 6752-6757

A cyclic nucleotide-gated channel mutation associated with canine daylight blindness provides insight into a role for the S2 segment tri-Asp motif in channel biogenesis N Tanaka, L Delemotte, ML Klein, AM Komáromy, JC Tanaka PloS one 9 (2), e88768

Evolutionary imprint of activation: The design principles of VSDs E Palovcak, L Delemotte, ML Klein, V Carnevale The Journal of general physiology 143 (2), 145-156


Omega currents in voltage-gated ion channels: what can we learn from uncovering the voltage-sensing mechanism using MD simulations? M Tarek, L Delemotte Accounts of chemical research 46 (12), 2755-2762

Conduction in a biological sodium selective channel L Stock, L Delemotte, V Carnevale, W Treptow, ML Klein The journal of physical chemistry B 117 (14), 3782-3789


Gating pore currents and the resting state of Nav1. 4 voltage sensor domains P Gosselin-Badaroudine, L Delemotte, A Moreau, ML Klein, M Chahine Proceedings of the National Academy of Sciences 109 (47), 19250-19255

Dual effect of phosphatidylinositol (4, 5)-bisphosphate PIP2 on Shaker K+ channels F Abderemane-Ali, Z Es-Salah-Lamoureux, L Delemotte, MA Kasimova, … Journal of Biological Chemistry 287 (43), 36158-36167

Molecular-level characterization of lipid membrane electroporation using linearly rising current P Kramar, L Delemotte, AM Lebar, M Kotulska, M Tarek, D Miklavčič The Journal of membrane biology 245 (10), 651-659

Molecular dynamics simulations of lipid membrane electroporation L Delemotte, M Tarek The Journal of membrane biology 245 (9), 531-543

Transport of siRNA through lipid membranes driven by nanosecond electric pulses: an experimental and computational study M Breton, L Delemotte, A Silve, LM Mir, M Tarek Journal of the American Chemical Society 134 (34), 13938-13941

Molecular dynamics simulations of voltage-gated cation channels: insights on voltage-sensor domain function and modulation L Delemotte, ML Klein, M Tarek Front Pharmacol 3 (97), 10.3389


Intermediate states of the Kv1. 2 voltage sensor from atomistic molecular dynamics simulations L Delemotte, M Tarek, ML Klein, C Amaral, W Treptow Proceedings of the National Academy of Sciences 108 (15), 6109-6114


Effect of sensor domain mutations on the properties of voltage-gated ion channels: molecular dynamics studies of the potassium channel Kv1. 2 L Delemotte, W Treptow, ML Klein, M Tarek Biophysical journal 99 (9), L72-L74


The “hydrazinoturn” hydrogen bonding network in hydrazinopeptides and aza-β 3-peptides as probed by an AIM topological analysis of the electronic density C Simo, A Salaün, C Arnarez, L Delemotte, A Haegy, A Kachmar, … Journal of Molecular Structure: THEOCHEM 869 (1), 41-46

Modeling membranes under a transmembrane potential L Delemotte, F Dehez, W Treptow, M Tarek The Journal of Physical Chemistry B 112 (18), 5547-5550