Hydration microscope: an internet resource for microscopic structure visualization of the hydration of macromolecules

   


1. IMPB RAS
Type: Experimental/clinical study
UDK: 532.74; 577.15     
Year: 2004 vol: 50  application: 1  pages: 158-162
Abstract: A WEB-server has been created to visualize results of theoretical calculations of macromolecule hydration. The server displays to the user the graphs of atom-atom correlation functions of macromolecule hydration. The correlation functions are first obtained by solving integral equations of the theory of liquids in RISM approximation. The 3D-visualization of the macromolecule and supplementary information, available as tables of partial atomic contributions to thermodynamic hydratation values, allows the user to choose functions of interest in dialogue mode. By now the server stores the data on correlation functions of 926 peptides, with the maximum number of atoms of 5124
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Reference: Tikhonov D.A., Pavlishev S.V., Pavlov A.N., Hydration microscope: an internet resource for microscopic structure visualization of the hydration of macromolecules, Biomeditsinskaya khimiya, 2004, vol: 50(application 1), 158-162.
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