Non-Gaussian behavior of elastic incoherent neutron scattering profiles of proteins studied by molecular dynamics simulation

2007 ◽  
Vol 75 (4) ◽  
Author(s):  
Atsushi Tokuhisa ◽  
Yasumasa Joti ◽  
Hiroshi Nakagawa ◽  
Akio Kitao ◽  
Mikio Kataoka
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Incoherent Neutron Scattering ◽  
Non Gaussian ◽  
Incoherent Neutron ◽  
Elastic Incoherent Neutron Scattering

Incoherent neutron scattering of copper azurin: a comparison with molecular dynamics simulation results

1999 ◽  
Vol 28 (6) ◽  
pp. 447-456 ◽  
Author(s):  
Alessandro Paciaroni ◽  
Maria Elena Stroppolo ◽  
Caterina Arcangeli ◽  
Anna Rita Bizzarri ◽  
Alessandro Desideri ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Dynamics Simulation ◽  
Incoherent Neutron Scattering ◽  
Simulation Results ◽  
Incoherent Neutron

scholarly journals High Hydrostatic Pressure–A Key Element to Investigate Molecular Dynamics in Biosystems

2022 ◽  
Vol 9 ◽  
Author(s):  
Judith Peters
Keyword(s):  
Molecular Dynamics ◽  
Hydrostatic Pressure ◽  
Neutron Scattering ◽  
Biological Samples ◽  
Atomic Mobility ◽  
Temperature Variations ◽  
Incoherent Neutron Scattering ◽  
The Impact ◽  
Incoherent Neutron ◽  
Elastic Incoherent Neutron Scattering

Temperature variations are often used to investigate molecular dynamics through neutron scattering in biosystems, as the required techniques are well-known. Hydrostatic pressure is much less applied due to technological difficulties. However, within the last decade, a reliable and suitable equipment has been developed at the Institut Laue Langevin, Grenoble, France, which is now available on different instruments. Here, an overview on its application in relation with elastic incoherent neutron scattering to study, for instance, the impact of transitions on atomic mobility in biological samples, is presented, as well as the conclusions that can be drawn therefrom.

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