Gromacs-Based Molecular Dynamics Investigation of Enantioselective Adsorption of Chiral Pollutant (R/S-Flufiprole) on Ice using TIP4P/Ice Model
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This dataset contains molecular dynamics simulation outputs generated using GROMACS to study the interaction between enantiomers of chiral pollutant (flufiprole) and an ice surface modeled using the TIP4P Ice model. The data includes trajectory files, energy profiles, and structural configurations, providing insights into adsorption behavior at cryogenic interfaces.
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Zenodo创建时间：
2026-07-12
