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Theoretical and Computational Chemistry

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Sergio Pantano

3 results in Authors: Sergio Pantano

Theoretical and Computational Chemistry

Split the Charge Difference in Two! a Rule of Thumb for Adding Proper Amounts of Ions in MD Simulations

Matías R. Machado, Sergio Pantano

Version 2 posted 30 January 2020

709

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Theoretical and Computational Chemistry

Wrapping up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus.

Martín Soñora, Leandro Martinez, Sergio Pantano, Matías R. Machado

Version 2 posted 17 December 2020

917

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Theoretical and Computational Chemistry

Parameterization of Divalent Cations for Coarse-Grained Simulations

Florencia Klein, Daniela Cáceres-Rojas, Monica Carrasco, Juan Carlos Tapia, Julio Caballero, Jans Alzate-Morales, Sergio Pantano

Version 1 posted 24 February 2020

767

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