2016/02/01 by R. Tscheliessnig, Tscheliessnig, László Pusztai +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · Mathematics · Physics and Astronomy · #Chemical physics #Chemistry #Computational chemistry #Crystallography #Electrolyte #Enzyme Structure and Function #Fractal #Geometry #Materials science #Mathematics #Molecular dynamics #Nanotechnology #Neutron scattering #Optics #Physical chemistry #Physics #Protein Structure and Dynamics #Scattering #Shell (structure) #Small-angle neutron scattering #Small-angle scattering #Spectroscopy and Quantum Chemical Studies #Surface (topology) #cond-mat.soft
paper · pdf · doi:10.5488/cmp.19.13803
published in Condensed Matter Physics 19(1), 13803 (Institute for Condensed Matter Physics of NAS of Ukraine) · 8 pages, 5 figures
openalex publication_date 2016/02/01 · arxiv created 2016/03/08 · arxiv updated 2016/03/09 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The concept of the surface of a protein in solution, as well of the interface between protein and 'bulk solution', is introduced. The experimental technique of small angle X-ray and neutron scattering is introduced and described briefly. Molecular dynamics simulation, as an appropriate computational tool for studying the hydration shell of proteins, is also discussed. The concept of protein surfaces with fractal dimensions is elaborated. We finish by exposing an experimental (using small angle X-ray scattering) and a computer simulation case study, which are meant as demonstrations of the possibilities we have at hand for investigating the delicate interfaces that connect (and divide) protein molecules and the neighboring electrolyte solution.