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Related Experiment Video

Updated: Jun 23, 2026

Optimization of Crystal Growth for Neutron Macromolecular Crystallography

Optimization of Crystal Growth for Neutron Macromolecular Crystallography

Published on: March 13, 2021

Ion specific effects on phase transitions in protein solutions.

S Lettieri¹, Xiaofei Li, J D Gunton

¹Department of Physics, Lehigh University, Bethlehem, Pennsylvania 18015, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|April 28, 2009

Summary

Protein interactions in salt solutions were simulated, revealing ion-specific forces that influence lysozyme

Area of Science:

Biophysics
Physical Chemistry
Computational Biology

Background:

Protein-protein interactions are crucial for biological processes.
Ion-specific effects in protein solutions are not fully understood.
Previous simulations identified ion-specific forces between lysozyme molecules.

Purpose of the Study:

To determine the phase diagram for lysozyme in aqueous NaCl and NaI solutions.
To investigate the influence of ion-specific interactions on protein phase behavior.
To compare simulation results with models including or excluding solvent effects.

Main Methods:

Utilized Monte Carlo simulations of lysozyme interactions.
Employed a combination of explicit solvent and continuum models.

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Optimization of Crystal Growth for Neutron Macromolecular Crystallography

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High-Pressure NMR Experiments for Detecting Protein Low-Lying Conformational States

High-Pressure NMR Experiments for Detecting Protein Low-Lying Conformational States

Published on: June 29, 2021

Derived phase diagrams from potential of mean force data.

Main Results:

Two of three determined phase diagrams exhibit stable fluid-fluid critical points.
A metastable critical point was observed in one phase diagram.
A secondary repulsive interaction was identified as the cause of metastability.
Comparison with a model lacking solvent structural effects was performed.

Conclusions:

Ion-specific interactions significantly impact lysozyme phase behavior.
Repulsive forces can lead to metastable critical points in protein solutions.
Solvent structural effects play a role in protein phase diagrams.