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Volumn 133, Issue 3, 2010, Pages

Infrared signatures of the peptide dynamical transition: A molecular dynamics simulation study

Author keywords

[No Author keywords available]

Indexed keywords

BI-PHASIC; CHLOROFORM SOLVENTS; CONFORMATIONAL DYNAMICS; CONFORMATIONAL TRANSITIONS; DIHEDRAL ANGLES; DYNAMICAL TRANSITION; ENERGY BASINS; FEMTOSECONDS; FREE ENERGY LANDSCAPE; FREQUENCY FLUCTUATION; GLASS TRANSITION TEMPERATURE; GLASS-FORMING SYSTEMS; INFRARED SIGNATURE; IR SPECTRUM; MOLECULAR DYNAMICS SIMULATIONS; SENSITIVE PROBE; TEMPERATURE DEPENDENCE; TIME-SCALES; TWO-DIMENSIONAL INFRARED (2D IR);

EID: 77956249319     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3462961     Document Type: Article
Times cited : (13)

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    • It should be noted, however, that for improved sampling (e.g., by starting at left- and right-handed conformations), we should also obtain at 220 K a φ -symmetric form of the free energy landscape. Hence, the rise of the fluctuations along φ in Fig. is to some extent a sampling artifact, which disappears when we average over both chiralities as done in Fig.
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