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7 results in Authors: Natacha Gillet

Biological and Medicinal Chemistry

Working Paper

What Accounts for the Different Function in Photolyases and Cryptochromes: A Computational Study of Critical Events in the Protein Active Site

Daniel Holub, Thilo Mast, Tomáš Kubař, Marcus Elstner, Natacha Gillet

Version 1 posted 05 February 2019

361

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Theoretical and Computational Chemistry

Working Paper

Assessing the Sequence Dependence of Pyrimidine-Pyrimidone (6-4) Photoproduct in a Duplex Double-Stranded DNA: A Challenge for Microsecond Range Simulation

Natacha Gillet, Alessio Bartocci, Elise Dumont

Version 1 posted 18 December 2020

344

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Physical Chemistry

Working Paper

One Touch Is All It Takes: the Supramolecular Interaction between Ubiquitin and Lanthanide Complexes Revisited by Paramagnetic NMR and Molecular Dynamics

Karen Dos Santos, Alessio Bartocci, Natacha Gillet, Sandrine Denis-Quanquin, Amandine Roux, Eugene Lin, Zeren Xu, Raphaël Finizola, Pauline Chedozeau, Xi Chen, Cédric Caradeuc, Mathieu Baudin, Gildas Bertho, François Riobé, Olivier Maury, Elise Dumont, Nicolas Giraud

Version 1 posted 19 January 2024

210

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Inorganic Chemistry

Working Paper

Influence of chemical modifications of the crystallophore on protein nucleating properties and supramolecular interactions network.

Amandine Roux, Zaynab Alsalman, Tao Jiang, Jean-Christophe Mulatier, Delphine Pitrat, Elise Dumont, François Riobé, Natacha Gillet, Eric Girard, Olivier Maury

Version 1 posted 12 February 2024

155

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Theoretical and Computational Chemistry

Working Paper

Capturing Histone Tails Motion using all-atom Replica-Exchange with Solute Tempering (REST2) Simulations

Natacha Gillet, Laleh Allahkaram, Elise Dumont

Version 1 posted 03 November 2023

147

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Biological and Medicinal Chemistry

Working Paper

Biological Relevance of Charge Transfer Branching Pathways in Photolyases

Daniel Holub, Tilman Lamparter, Marcus Elstner, Natacha Gillet

Version 1 posted 04 March 2019

400

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Theoretical and Computational Chemistry

Working Paper

Molecular dynamics approach for capturing calixarenes--proteins interactions: the case of cytochrome c

Alessio Bartocci, florence szczepaniak, Tao Jiang, Natacha Gillet, Elise Dumont

Version 2 posted 17 September 2020

924

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7 results in Natacha Gillet in Authors: Natacha Gillet

What Accounts for the Different Function in Photolyases and Cryptochromes: A Computational Study of Critical Events in the Protein Active Site

Assessing the Sequence Dependence of Pyrimidine-Pyrimidone (6-4) Photoproduct in a Duplex Double-Stranded DNA: A Challenge for Microsecond Range Simulation

One Touch Is All It Takes: the Supramolecular Interaction between Ubiquitin and Lanthanide Complexes Revisited by Paramagnetic NMR and Molecular Dynamics

Influence of chemical modifications of the crystallophore on protein nucleating properties and supramolecular interactions network.

Capturing Histone Tails Motion using all-atom Replica-Exchange with Solute Tempering (REST2) Simulations

Biological Relevance of Charge Transfer Branching Pathways in Photolyases

Molecular dynamics approach for capturing calixarenes--proteins interactions: the case of cytochrome c

7 results in Authors: Natacha Gillet