Browsing by Author "Hayward, Jennifer A."
Now showing items 1-3 of 3
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Molecular dynamics decomposition of temperature-dependent elastic neutron scattering by a protein solution
(Biophysical Society, 2003-08)Molecular dynamics simulations are performed of bovine pancreatic trypsin inhibitor in a cryosolution over a range of temperatures from 80 to 300 K and the origins identified of elastic dynamic neutron scattering from the ... -
Neutron frequency windows and the protein dynamical transition
(Biophysical Society, 2004-09)Proteins undergo an apparent dynamical transition on temperature variation that has been correlated with the onset of function. The transition in the mean-square displacement, ∆r2 , that is observed using a spectrometer ... -
Use of computer simulation in the interpretation of elastic neutron scattering in complex molecular systems: a small protein in various environments
(Elsevier, 2003)Elastic and quasielastic neutron scattering experiments on complex systems are often difficult to interpret unambiguously directly using analytical dynamical models. In such cases computer simulations can be used to provide ...
