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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

839

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Inorganic Chemistry

Working Paper

Influence of divalent cations in the protein crystallization process assisted by Lanthanide-based additives.

Olivier Maury, Romain Talon, Zaynab Alsalman, Sylvain Engilberge, Eric Girard, Anthony D'Aléo, Amandine Roux, Sebastiano Di Pietro, Adeline Robin, Alessio Bartocci, Guillaume Pilet, Elise Dumont, Tristan Wagner, Seigo Shima, François Riobé

Version 1 posted 18 June 2021

276

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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

331

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Physical Chemistry

Working Paper

Capturing The Dynamic Association Between A Tris-Dipicolinate Lanthanide Complex And A Decapeptide: A Combined Paramagnetic NMR And Molecular Dynamics Exploration.

Sandrine Denis-Quanquin, Alessio Bartocci, florence szczepaniak, François Riobé, Olivier MAURY, Elise Dumont, nicolas giraud

Version 1 posted 30 November 2020

329

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Theoretical and Computational Chemistry

Working Paper

Capturing the recognition dynamics of para-sulfonato- calix[4]arenes by cytochrome c: towards a quantitative free energy assessment

Alessio Bartocci, Gilberto Pereira, Marco Cecchini, Elise Dumont

Version 1 posted 26 April 2022

213

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Biological and Medicinal Chemistry

Working Paper

Probing the dynamical interaction of the para-sulfonato-calix[4]arene with an antifungal protein

Alessio Bartocci, Elise Dumont

Version 1 posted 15 March 2023

119

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Biological and Medicinal Chemistry

Working Paper

Situating the Phosphonated Calixarene–Cytochrome C Association by Molecular Dynamics Simulations.

Alessio Bartocci, Elise Dumont

Version 1 posted 07 November 2023

101

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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

152

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8 results in Alessio Bartocci in Authors: Alessio Bartocci

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

Influence of divalent cations in the protein crystallization process assisted by Lanthanide-based additives.

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

Capturing The Dynamic Association Between A Tris-Dipicolinate Lanthanide Complex And A Decapeptide: A Combined Paramagnetic NMR And Molecular Dynamics Exploration.

Capturing the recognition dynamics of para-sulfonato- calix[4]arenes by cytochrome c: towards a quantitative free energy assessment

Probing the dynamical interaction of the para-sulfonato-calix[4]arene with an antifungal protein

Situating the Phosphonated Calixarene–Cytochrome C Association by Molecular Dynamics Simulations.

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

8 results in Authors: Alessio Bartocci