Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Intermolecular Forces

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...

Intermolecular Forces

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...

Molecular Geometry and Dipole Moments

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:

Entropy and Solvation

Entropy and Solvation

The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ ≥ 15); an...

Molecular Shapes

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.Two regions of electron density in a diatomic...

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Sequence determination of reduction potentials by cysteinyl hydrogen bonds and peptide pipoles in [4Fe-4S] ferredoxins.

Biophysical journal·2001

Same author

Leucine 41 is a gate for water entry in the reduction of Clostridium pasteurianum rubredoxin.

Protein science : a publication of the Protein Society·2001

Same author

Modulation of the redox potential of the [Fe(SCys)(4)] site in rubredoxin by the orientation of a peptide dipole.

Biochemistry·1999

Same author

Protein contributions to redox potentials of homologous rubredoxins: an energy minimization study.

Biophysical journal·1997

Same author

Structural origins of redox potentials in Fe-S proteins: electrostatic potentials of crystal structures.

Biophysical journal·1996

Same author

Temperature dependence of the redox potential of rubredoxin from Pyrococcus furiosus: a molecular dynamics study.

Biochemistry·1996

Search research articles

Related Experiment Video

Updated: Jul 19, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Integral equation theories for predicting water structure around molecules.

Y Liu¹, T Ichiye

¹Department of Biochemistry/Biophysics, Washington State University, Pullman, WA 99163-4660, USA.

Biophysical Chemistry

|October 13, 2006

Summary

This study presents a new integral equation theory for aqueous solvation of proteins. The theory accurately predicts water molecule distribution and is computationally efficient, offering a promising tool for macromolecular studies.

More Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Related Experiment Videos

Last Updated: Jul 19, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Area of Science:

Physical chemistry
Computational biology
Statistical mechanics

Background:

Water's role in biomolecular structure and function is critical.
Understanding aqueous solvation is essential for biological macromolecules.
Integral equation theories offer a molecular-level approach to solvation.

Purpose of the Study:

To develop an integral equation theory for aqueous solvation of globular macromolecules.
To predict the 3D spatial and orientational distribution of water around solutes.
To integrate theoretical tools for enhanced solvation modeling.

Main Methods:

Developed a 3D Ornstein-Zernike equation with spatial and orientational components.
Employed modified hypernetted chain closure and quasi-continuum theory.
Utilized the soft-sticky dipole (SSD) water model for efficient simulations.

Main Results:

The theory accurately predicts water molecule distributions around solutes.
The SSD water model shows superior performance and speed compared to traditional models.
The integral equation theory aligns well with Monte Carlo simulation results.

Conclusions:

The developed integral equation theory is a promising approach for studying protein solvation.
The soft-sticky dipole model enhances computational efficiency in biomolecular simulations.
This work advances the understanding of water's role in biological systems.