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HITS gGmbH (formerly EML Research gGmbH), Heidelberg
Substrate exit channels in cytochrome P450cam
Comparison of TMPFs (thermal motion pathways based on analysis of temperature factors) with substrate exit channels found by random expulsion molecular dynamics simulation in cytochrome P450cam. The substrate's center of mass trace during expulsion is displayed in the same color as the atoms belonging to the closest TMPFs. Correspondence is found for TMPF2 (green) and TMPF3 (blue). TMPF1 (yellow) only weakly overlaps with the corresponding expulsion MDS pathway.


Luedemann, S. K.; Lounnas, V. & Wade, R.C. J. Mol. Biol. (2000), 303, 797-811 and 813-380.; !!+ J Mol. Mod. ref
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