Abstract: Determining the nature of interactions between water and biomolecules represents one of the greatest challenges in the post-genomic era. Apart from increasing effort worldwide to strength in the structural biology of individual macromolecules, using techniques, such as X-ray crystallography and NMR spectroscopy, neutron scattering studies offer unique opportunities to provide new information in this field. The distinguishing feature of neutron scattering is the ability to exploit the difference between proton and deuteron neutron scattering length enable us made considerable progress in understanding the structure and dynamics of water [1]. The contrast variation techniques enable us to obtain structural information from individual members of multicomponents of biological systems [2,3]. It also allows for the accurately location of hydrogen atoms in ordered systems and their vibrational dynamics. When used in combination with theoretical simulation techniques, e.g ab initio and ab initio MD, we can provide unique and complementary information not only the structural parameters of biological macromolecules but also their interactions with water molecules [4,5].  

 

[1]  JC Li and DK Ross, Nature 365 (1993) 327 & JC Li, J. Chem. Phys. 105(1996) 6733.
[2]  SV Ruffle, I Michalarias, J Li and RC Ford, J. Amer. Chem. Soc. 124 (2002) 565.
[3]  RC Ford, SV Ruffle, I Michalarias, I Beta,A Miller, and JC Li, J. Amer. Chem. Soc. 126 (2004) 4682.
[4]  P Zhang, L Tian, ZP Zhang, G Shao and JC Li, J. Chem. Phys 137 (2012) 044504.
[5]  L Tian, A Kolesnikov and JC Li, J. Chem. Phys 137 (2012) 20450.