Analysis of mutations of defensin protein using accelerated molecular dynamics simulations
Fig 5
Snapshots at 100 and 200 ns of protein-membrane simulations for each system a wild-type RsAFP2, its two mutants and two homologs highlighting the extent of leakage of water molecules across the trans-membrane region.
The two mutants cause higher influx of water molecules owing to the charged Arg residue replacement.