Replication data for: Efeitos de íon-comum e múltiplos eletrólitos na solvatação de proteínas por líquidos iônicos
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资源简介:
(i) a dataset containing input and output files for a molecular dynamics simulation of the ionic liquid BMIMCl at 1.0 mol/L in the presence of the protein Ubiquitin, illustrating one replica representative of the simulations performed in the thesis; (ii) input models used to run the molecular dynamics simulations with the OPLS-VSIL force field and the GROMACS software;
创建时间:
2025-01-01



