Conformational changes of surfactant protein B due to the alveolar air/liquid interface using molecular dynamics

For each system, a minimum of 900 ns production time per simulation was collected in 5 replicate simulations. Production time was measured after the system RMSD reached a steady state. All simulations used the FF19SB force field and OPC water model when applicable. Overall RMSD, per-residue RMSF, specific geometric parameters, and solvent distribution information were collected over the course of the simulations and analyzed.