Figure 20.1.3.3

Stocker, U.; Gunsteren, W. F. van

doi:10.1107/97809553602060000705

International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

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International Tables for Crystallography (2006). Vol. F. ch. 20.1, p. 483 | 1 | 2 |

Figure 20.1.3.3

U. Stocker^a and W. F. van Gunsteren^a

^aLaboratory of Physical Chemistry, ETH-Zentrum, 8092 Zürich, Switzerland

Figure 20.1.3.3

Root-mean-square Cα-atom-position deviation (RMSD) in nm from a reference structure as a function of the residue number using the final 1.6 ns of the simulation. RMSDs of the four protein molecules in the unit cell from the mean molecular-dynamics structure (dashed line) and from the X-ray structure (solid line) are shown in the first four graphs. The bottom graph shows the RMSD of the mean (over the four molecules) MD structure from the X-ray structure.