Atomic potentials, softening

Solvent causes a net softening of the local atomic potentials, particularly for exposed sidechain atoms, with a commensurate increase in fluctuation amplitudes. Recent inelastic neutron scattering studies of lysozyme as a function of hydration are in accord with this conclusion.2551 In addition, there are significant localized conformational changes, particularly for sidechains and exposed loop regions, and these, coupled with the increased fluctuations observed in the solvent simulation, may be of functional importance. These points are amplified in Chapt. X, where a thermodynamic analysis of the effect of solvent on the conformational equilibria of a dipeptide model is given. 

Fig.18a-c. Schematic sketch of up-ended bell-shape potential models a without b, c with potential softening due to different strain from surrounding atoms in disordered systems. Closed and open circles are schematic representations of marked and surrounding atoms (or molecules).(Reprinted with permission from [39]. Copyright 1998 American Institute oi Physics, New York)... 

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