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Theoretical and Computational Chemistry

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Julio Caballero

2 results in Authors: Julio Caballero

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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Theoretical and Computational Chemistry

Multi-objective evolutionary strategy for improving semiempirical Hamiltonians in the study of enzymatic reactions at the QM/MM level of theory

José Luís Velázquez-Libera, Rodrigo Recabarren, Esteban Vöhringer-Martinez, Yamisleydi Salgueiro, J. Javier Ruiz-Pernía, Julio Caballero, Iñaki Tuñón

Version 2 posted 23 April 2025

134

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