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Related Concept Videos

Gibbs Free Energy02:39

Gibbs Free Energy

One of the challenges of using the second law of thermodynamics to determine if a process is spontaneous is that it requires measurements of the entropy change for the system and the entropy change for the surroundings. An alternative approach involving a new thermodynamic property defined in terms of system properties only was introduced in the late nineteenth century by American mathematician Josiah Willard Gibbs. This new property is called the Gibbs free energy (G) (or simply the free...
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Proteins show rotational as well as lateral diffusion across the membrane. The lateral diffusion of proteins was confirmed through the cell fusion experiment where mouse and human cells were fused, resulting in hybrid cells. When the human and mouse cells fused, the specific membrane proteins on human and mouse cells were marked with the red and green-fluorescent markers, respectively. Initially, the red and green fluorescence was located on the respective hemisphere of the cell. As time...
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Force can be calculated from the expression for potential energy, which is a function of position. The component of a conservative force, in a particular direction, equals the negative of the derivative of the corresponding potential energy with respect to the displacement in that direction. For regions where potential energy changes rapidly with displacement, the work done and force is maximum. Also, when force is applied along the positive coordinate axis, the potential energy decreases with...
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Proteins perform many mechanical functions in a cell. These proteins can be classified into two general categories- proteins that generate mechanical forces and proteins that are subjected to mechanical forces. Proteins providing mechanical support to the structure of the cell, such as keratin, are subjected to mechanical force, whereas proteins involved in cell movement and transport of molecules across cell membranes, such as an ion pump, are examples of generating mechanical force. 
Gibbs Free Energy and Thermodynamic Favorability02:23

Gibbs Free Energy and Thermodynamic Favorability

The spontaneity of a process depends upon the temperature of the system. Phase transitions, for example, will proceed spontaneously in one direction or the other depending upon the temperature of the substance in question. Likewise, some chemical reactions can also exhibit temperature-dependent spontaneities. To illustrate this concept, the equation relating free energy change to the enthalpy and entropy changes for the process is considered:
An Introduction to Free Energy01:05

An Introduction to Free Energy

How can we compare the energy that releases from one reaction to that of another reaction? We use a measurement of free energy to quantitate these energy transfers. Scientists call this free energy Gibbs free energy (abbreviated with the letter G) after Josiah Willard Gibbs, the scientist who developed the measurement. According to the second law of thermodynamics, all energy transfers involve losing some energy in an unusable form such as heat, resulting in entropy. Gibbs free energy...

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Related Experiment Video

Updated: May 8, 2026

Differential Scanning Calorimetry &#8212; A Method for Assessing the Thermal Stability and Conformation of Protein Antigen
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Differential Scanning Calorimetry — A Method for Assessing the Thermal Stability and Conformation of Protein Antigen

Published on: March 4, 2017

Density functional theory for protein transfer free energy.

Eric A Mills1, Steven S Plotkin

  • 1Department of Physics & Astronomy, University of British Columbia , Vancouver, British Columbia V6T1Z4, Canada.

The Journal of Physical Chemistry. B
|August 16, 2013
PubMed
Summary

Density functional theory (DFT) models protein transfer free energy, revealing osmolyte-induced stability and temperature-dependent entropy. This approach offers insights into protein behavior and implicit-solvent molecular dynamics.

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Area of Science:

  • Computational chemistry
  • Biophysics
  • Physical chemistry

Background:

  • Understanding protein transfer free energy is crucial for predicting protein stability and behavior in solution.
  • Existing models often simplify complex solvent-protein interactions.

Purpose of the Study:

  • To develop a theoretical framework for protein transfer free energy using density functional theory (DFT).
  • To investigate the contributions of solvent effects, osmolyte interactions, and temperature dependence.

Main Methods:

  • Formulating protein transfer free energy within the density functional theory (DFT) formalism.
  • Treating proteins as sources of external potential acting on the solvent.
  • Developing simplified models and effective potentials for protein-osmolyte interactions.

Main Results:

  • DFT naturally incorporates solvent excluded volume, surface area, and temperature dependence.
  • Osmolyte-induced stability contributions range from 5 to 10 kBT.
  • Significant entropic contributions to transfer free energy were observed (d(δg)/dT ≈ 20 kB for a 100-residue protein).
  • The theory reproduces Langmuir isotherm condensation and predicts non-monotonic free energy behavior driving protein collapse.

Conclusions:

  • The developed DFT framework provides a comprehensive approach to protein transfer free energy.
  • It accurately captures various physical phenomena, including depletion effects and entropic contributions.
  • The study also extends DFT to implicit-solvent molecular dynamics, incorporating depletion and repulsion forces.