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Gilberto Pereira

2 results in Authors: Gilberto Pereira

Theoretical and Computational Chemistry

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

343

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Theoretical and Computational Chemistry

Bartender: Martini 3 Bonded Terms via Quantum Mechanics-based Molecular Dynamics

Gilberto P. Pereira, Riccardo Alessandri, Moisés Domínguez, Rocío Araya-Osorio, Linus Grünewald, Luís Borges-Araújo, Sangwook Wu, Siewert J. Marrink, Paulo Cesar Telles de Souza, Raul Mera-Adasme

Version 2 posted 07 June 2024

1,305

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