Rigid Body Molecular Dynamics - CHARMM

Project Info

1)Rigid body molecular dynamics of myoglobin using program CHARMM, generated a number of conformations.

2)Applying force of 100pN on the helix A of the myoglobin structure along X, Y and Z axes and keeping the other parts of the protein fixed.

3)Predefined motion of the helix produces same affects on the SAXS/WAXS double difference curves especially for structures having lower RMSD between them.

4)But if the RMSD between the structures is higher then helix motion does not have same effect on the SAXS/WAXS difference curves.

5)redefined motion of the helix produces same affects on the SAXS/WAXS double difference curves especially for structures having lower RMSD between them.