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Calculating electrostatic potential around proteins

Author(s): Jure Pražnikar (Author), Dušan Turk (Supervisor)

Year: 2009

Type: Doctoral dissertation

X-rays are diffracted on electron clouds and thereby provide a mean to observe 3-dimensional structure of molecules at atomic level. Using medium resolution diffraction data (2Å and lower) we have shown that averaging of electron density maps generated from sets of randomly distributed atoms and can reduce noise and model …