WorldCat Identities

Delemotte, Lucie

Overview
Works: 12 works in 13 publications in 2 languages and 43 library holdings
Roles: Other, Author, the, Opponent
Classifications: QH345, 553.7
Publication Timeline
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Most widely held works by Lucie Delemotte
L'eau à découvert by Luc Abbadie( )

2 editions published in 2017 in French and held by 27 WorldCat member libraries worldwide

Indispensable à la régulation du climat, au développement de la vie sur Terre, au maintien des écosystèmes, aux populations, au développement de l'agriculture, de l'industrie comme à la production d'énergie, l'eau est un élément vital. Il convient donc, dans un contexte de changement global, d'analyser dans toute sa diversité la place et le rôle de l'eau et de se donner ainsi les moyens de mieux la préserver. Autour de cet enjeu qui engage toute l'humanité, Agathe Euzen, Catherine Jeandel et Rémy Mosseri ont réuni près de cent cinquante contributions, visant à apporter un éclairage sur chacun des domaines et des approches que couvre cette thématique. Quelle est l'origine de l'eau? Son rapport avec l'apparition de la vie? Quel rôle a-t-elle joué dans l'histoire de la planète et dans le développement de la vie végétale, animale et humaine? Quel est son cycle? Quelles sont ses propriétés chimiques? Comment les sociétés se sont-elles emparées de cet élément précieux? Allons-nous manquer d'eau? L'eau est-elle source de conflits? Comment l'eau est-elle gérée? Comment recycle-t-on une eau polluée? Quels sont les risques pour la santé mondiale? Quels sont les grands enjeux liés à l'eau au xxie siècle? Comprendre et proposer des solutions à ces défis majeurs est l'intention de cet ouvrage
Outlining the proton-conduction pathway in otopetrin channels by Lucie Delemotte( )

1 edition published in 2019 in English and held by 2 WorldCat member libraries worldwide

Exploring the Viral Channel KcvPBCV-1 Function via Computation by Alma E. V Andersson( )

1 edition published in 2018 in English and held by 2 WorldCat member libraries worldwide

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory by Zoe Cournia( )

1 edition published in 2015 in English and held by 2 WorldCat member libraries worldwide

Molecular Dynamics Simulations of Lipid Membrane Electroporation by Lucie Delemotte( )

1 edition published in 2012 in English and held by 2 WorldCat member libraries worldwide

Gating interaction maps reveal a noncanonical electromechanical coupling mode in the Shaker K+ channel by Ana I Fernández-Mariño( )

1 edition published in 2018 in English and held by 2 WorldCat member libraries worldwide

Fonction et modulation des canaux potassiques voltage-dépendants : étude par simulations de dynamique moléculaire by Lucie Delemotte( )

1 edition published in 2011 in English and held by 1 WorldCat member library worldwide

Voltage gated ion channels (VGCs) are ubiquitous transmembrane (TM) proteins involved in electrical signaling in excitable cells. Their gating (opening-closing), triggered by changes in the TM voltage, proceeds through a sensing mechanism involving conserved positively charged residues belonging to the voltage sensor domain (VSD). Details on the function of such channels have been revealed thanks to decades of experimental investigations but questions concerning the molecular level function of these proteins still remain under active debate. Starting from the "open state" crystal structure of the rat potassium VGC Kv1.2, we have carried out large-scale all-atom molecular dynamics simulations of the channel embedded in its lipidic environment submitted to a hyperpolarized potential. This allowed to follow the deactivation of the VSD and to uncover three intermediate states between the open and closed conformations. We report gating charge calculations or else state dependent molecular contacts that comply with experimental results and propose accordingly a model of the entire deactivation that conciliates the diverging views proposed so far. Using this model, we further characterize at the molecular level the modulation mechanisms of VGCs: specific mutations of basic residues of the VSD involved in genetic diseases are shown to induce state-dependent "omega" leak currents, in agreement with electrophysiology and a partial conclusion is proposed to explain the alteration of VGC voltage-dependency when the lipids embedding them are chemically modified. We conclude by extending this study to human VGCs (Kv7 family) of physiological relevance
Identification of electroporation sites in the complex lipid organization of the plasma membrane( )

1 edition published in 2022 in English and held by 1 WorldCat member library worldwide

Modélisation et simulation moléculaire pour la compréhension des processus biologiques fondamentaux et le développement de nouveaux agents thérapeutiques contre le cancer et la Covid-19 by Cecilia Hognon( )

1 edition published in 2021 in French and held by 1 WorldCat member library worldwide

Au cours de cette thèse, j'ai utilisé la modélisation moléculaire et des techniques de simulation pour répondre à des questions biologiques clés, dans le cadre de la compréhension des bases fondamentales du développement cancéreux et des mécanismes de réplication/diffusion virales, y compris ceux du SARS-CoV-2. En plus de rationaliser les bases moléculaires derrière les résultats biologiques critiques, y compris l'évaluation des propriétés thermodynamiques des agrégats biologiques clés, j'ai également étudié la conception moléculaire rationnelle possible de nouveaux agents thérapeutiques agissant comme antiviraux et anticancéreux. À cette fin, j'ai étudié l'induction et la réparation des lésions de l'ADN, ainsi que les bases de l'organisation du génome et de la compaction de l'ADN. Cela m'a également amené à prendre en compte la régulation épigénétique, la conception possible d'agents externes perturbant l'expression des gènes, et la régulation de voies de signalisation telles que l'homéostasie du fer. En outre, j'ai étudié les composants viraux clés du SARS-Cov-2, notamment la protéine Spike, certaines protéines non structurelles telles que le SARS Unique Domain, et l'organisation de son génome. Par ailleurs, je me suis également intéressée à la compréhension de la réponse du système immunitaire, et en particulier aux effets des variants de la protéine humaine STING, qui est capable de détecter la présence de matériel génétique endogène et de déclencher la réponse immunitaire appropriée. D'un point de vue méthodologique, l'utilisation d'une approche multi-échelle, combinant dans certains cas les méthodes classiques et QM/MM, a montré sa capacité à rationaliser les effets non seulement chimiques mais aussi biologiques et a ouvert la voie à des stratégies de conception rationnelle plus fortes
Identification of ligand-specific G protein-coupled receptor states and prediction of downstream efficacy via data-driven modeling by Oliver Fleetwood( )

1 edition published in 2021 in English and held by 1 WorldCat member library worldwide

Ligand binding stabilizes different G protein-coupled receptor states via a complex allosteric process that is not completely understood. Here, we have derived free energy landscapes describing activation of the beta(2) adrenergic receptor bound to ligands with different efficacy profiles using enhanced sampling molecular dynamics simulations. These reveal shifts toward active-like states at the Gprotein-binding site for receptors bound to partial and full agonists, and that the ligands modulate the conformational ensemble of the receptor by tuning protein microswitches. We indeed find an excellent correlation between the conformation of the microswitches close to the ligand binding site and in the transmembrane region and experimentally reported cyclic adenosine monophosphate signaling responses. Dimensionality reduction further reveals the similarity between the unique conformational states induced by different ligands, and examining the output of classifiers highlights two distant hotspots governing agonism on transmembrane helices 5 and 7
ǂThe ǂimpact of electroporative pulses on voltage-gated ion channels( )

1 edition published in 2021 in English and held by 1 WorldCat member library worldwide

Computational Study of Calmodulin’s Ca2+-dependent Conformational Ensembles by Annie M Westerlund( )

1 edition published in 2018 in English and held by 1 WorldCat member library worldwide

Ca 2+ and calmodulin play important roles in many physiologically crucial pathways. The conformational landscape of calmodulin is intriguing. Conformational changes allow for binding target-proteins, while binding Ca 2+ yields population shifts within the landscape. Thus, target-proteins become Ca 2+ -sensitive upon calmodulin binding. Calmodulin regulates more than 300 target-proteins, and mutations are linked to lethal disorders. The mechanisms underlying Ca 2+ and target-protein binding are complex and pose interesting questions. Such questions are typically addressed with experiments which fail to provide simultaneous molecular and dynamics insights. In this thesis, questions on binding mechanisms are probed with molecular dynamics simulations together with tailored unsupervised learning and data analysis. In Paper 1 , a free energy landscape estimator based on Gaussian mixture models with cross-validation was developed and used to evaluate the efficiency of regular molecular dynamics compared to temperature-enhanced molecular dynamics. This comparison revealed interesting properties of the free energy landscapes, highlighting different behaviors of the Ca 2+ -bound and unbound calmodulin conformational ensembles. In Paper 2 , spectral clustering was used to shed light on Ca 2+ and target protein binding. With these tools, it was possible to characterize differences in target-protein binding depending on Ca 2+ -state as well as N-terminal or C-terminal lobe binding. This work invites data-driven analysis into the field of biomolecule molecular dynamics, provides further insight into calmodulin's Ca 2+ and targetprotein binding, and serves as a stepping-stone towards a complete understanding of calmodulin's Ca 2+ -dependent conformational ensembles
 
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Alternative Names
Delemotte, Lucie Monique Françoise

Lucie Delemotte researcher

Lucie Delemotte wetenschapper

Languages
English (10)

French (3)