Fold energy

The particular models used to demonstrate the theory obviously have many drawbacks as true representations of polymer crystals. These could include the lack of a fold energy, no distinction between new molecules and those already attached, neglect of chain ends, a somewhat arbitrary choice of pinning rules etc. However, they all serve their purpose in that they show that an energetic free energy barrier is not necessary to obtain the experimental curves. A truly representative growth picture can probably only be achieved via molecular dynamics. 

Folding energy and catalysis, 227 Force field approach, consistent 113 Free energy, 43,47 of activation, 87-90, 92-93, 93, 138 of charging processes, 82 convergence of calculations of, 81 in proteins, SCAAS model for, 126 of reaction, 90... 

Another application is concerned with highly excited rotational levels of the PH3 molecule [13,14]. The calculations show that these rotational levels form near-degenerate six-fold energy clusters analogous to the four-fold clusters formed in triatomic dihydrides H2X (see, for example, Refs. [3,15,16] and references therein). 

Figure 17.1 Schematic diagram of a folding energy landscape (Radford, 2000 from Schultz, 2000).

If the overall folding energy of a particular protein is only 40 kJ mol 1, how many H bonds would have to be broken in order to disrupt the structure ... 

Oliveberg, M., Wolynes, P.G. The experimental survey of protein-folding energy landscapes. Q. Rev. Biophys. 2005, 38, 245-88. 

Wolynes, P., Z. Euthey-Schulten, and J. Onuchic, Fastfolding experiments and the topography of protein folding energy landscapes. Chem Biol, 1996. 3(6) p. 425-32. 

Sample Density (g/cm ) Two-fold (%) Three-fold (%) Four-fold (%) Energy (eV/atom)... 

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