Proteins in solution: Fractal surfaces in solutions

TL;DR

This paper explores the concept of protein surfaces in solution, introducing fractal dimensions and demonstrating experimental and computational methods like small angle scattering and molecular dynamics to study protein-solvent interfaces.

Contribution

It presents a novel perspective on protein surfaces as fractal entities and combines experimental and simulation techniques to investigate these interfaces.

Findings

Fractal dimensions effectively characterize protein surfaces.

Small angle scattering reveals detailed interface structures.

Simulations complement experimental data for interface analysis.

Abstract

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.