Table 1 Details of the MD simulation systems.
From: The role of microplastics as vectors of antibiotic contaminants via a molecular simulation approach
System | Number of antibiotic molecules | Size box |
|---|---|---|
Amoxicillin-pp | 10 | 15*15*15 |
Amoxicillin- aged pp | 10 | 15*15*15 |
Tetracycline-pp | 10 | 15*15*15 |
Tetracycline-aged pp | 10 | 15*15*15 |
Ciprofloxacin-pp | 10 | 15*15*15 |
Ciprofloxacin-aged pp | 10 | 15*15*15 |
Amoxicillin-ps | 10 | 14*10*10 |
Amoxicillin-aged ps | 10 | 14*10*10 |
Tetracycline-ps | 10 | 14*10*10 |
Tetracycline- aged ps | 10 | 14*10*10 |
Ciprofloxacin-ps | 10 | 14*10*10 |
Ciprofloxacin-aged ps | 10 | 14*10*10 |
