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

Distribution of Molecular Speeds

Distribution of Molecular Speeds

The motion of molecules in a gas is random in magnitude and direction for individual molecules, but a gas of many molecules has a predictable distribution of molecular speeds. This predictable distribution of molecular speeds is known as the Maxwell-Boltzmann distribution. The distribution of molecular speeds in liquids is comparable to that of gases but not identical and can help to understand the phenomenon of the boiling and vapor pressure of a liquid. Consider that a molecule requires a...

You might also read

Related Articles

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

Sort by

Same author

Food, medicine, and cosmetic homology: A comprehensive review of bioactive components, functions, and applications of Torreya grandis.

Drug discoveries & therapeutics·2025

Same author

Effects of -H and -OH Termination on Adhesion of Si-Si Contacts Examined Using Molecular Dynamics and Density Functional Theory.

Langmuir : the ACS journal of surfaces and colloids·2024

Same author

Interfacial Properties of Linear Alkane/Nitrogen Binary Mixtures: Molecular Dynamics Vapor-Liquid Equilibrium Simulations.

The journal of physical chemistry. B·2022

Same author

The role of mesenchymal stem cells in liver injury.

Cell biology international·2021

Same author

Impact of Molecular Structure on Properties of n-Hexadecane and Alkylbenzene Binary Mixtures.

The journal of physical chemistry. B·2018

Same author

Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange.

Journal of chemical theory and computation·2015

Search research articles

Related Experiment Video

Updated: Apr 22, 2026

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Published on: August 9, 2024

Recent development and application of constant pH molecular dynamics.

Wei Chen¹, Brian H Morrow¹, Chuanyin Shi²

¹Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, MD 21201, USA.

Molecular Simulation

|October 14, 2014

Summary

Constant pH molecular dynamics (pHMD) simulations offer detailed insights into pH-coupled processes. Recent advancements, particularly all-atom continuous pHMD, enhance understanding of biomolecular and self-assembly phenomena.

Keywords:

algorithms electrostatics molecular dynamics pH pKa calculation

More Related Videos

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

Related Experiment Videos

Last Updated: Apr 22, 2026

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Published on: August 9, 2024

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

Area of Science:

Biochemistry and Biophysics
Computational Chemistry
Physical Chemistry

Background:

Solution pH is a critical factor influencing chemical and biological systems.
Molecular dynamics (MD) simulations are essential for studying molecular behavior.
Constant pH molecular dynamics (pHMD) techniques have emerged to simulate pH-dependent processes.

Purpose of the Study:

To review advancements in constant pH molecular dynamics (pHMD) over the past five years.
To highlight the development and applications of all-atom continuous pHMD.
To discuss the impact of pH on various molecular systems and processes.

Main Methods:

Review of recent literature on pHMD techniques.
Focus on all-atom continuous pHMD development.
Analysis of simulation results for various applications.

Main Results:

Significant progress in pHMD, especially all-atom continuous pHMD.
Successful prediction of pKa shifts for proteins, nucleic acids, and surfactants.
Elucidation of pH-dependent binding, self-assembly, and phase transitions.

Conclusions:

pHMD techniques provide valuable insights into pH-coupled phenomena.
All-atom continuous pHMD is a powerful tool for studying diverse molecular systems.
Further improvements in pHMD methods will expand their applicability.