CHARMM27 dynamics simulation trajectories of α-conotoxin LsIA and its C-terminal carboxylated analogue bound at α3β2 nAChR

<p>The whole simulation trajectories&nbsp;(28 individual trajectories with 27ns for each) contain the coordinates and parameters of atoms with time&nbsp;for&nbsp;&alpha;-conotoxin LsIA and its C-terminal carboxylated analogue anchored&nbsp;to rat &alpha;3&beta;2 nAChR, respectively. The&nbsp;GROMACS 4.6.5 with the CHARMM27 force field is&nbsp;used for the simulation.&nbsp;The&nbsp;trajectory&nbsp;(.xtc) files are saved every 100ps time for each protein complex&nbsp;only. The&nbsp;portable binary run input&nbsp;(.tpr) files&nbsp;are&nbsp;also uploaded&nbsp;with the data.&nbsp;</p>