Energy Transfer, Unfolding, and Fragmentation Dynamics in Collisions of N-Protonated Octaglycine with an H-SAM Surface

Results are reported for PM3 and RM1 QM+MM direct dynamics simulations of collisions of N-protonated octaglycine (gly8-H+) with an octanethiol self-assembled monolayer (H-SAM) surface. Detailed analyses of the energy transfer, fragmentation, and conformational changes induced by the collisions are d...

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Veröffentlicht in:	Journal of the American Chemical Society 2009-12, Vol.131 (47), p.17185-17193
Hauptverfasser:	Barnes, George L, Hase, William L
Format:	Artikel
Sprache:	eng
Schlagworte:	Energy Transfer Glycine - chemistry Protons
Online-Zugang:	Volltext
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