Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Distribution of Molecular Speeds01:27

Distribution of Molecular Speeds

6.0K
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...
6.0K
Molecular Models02:00

Molecular Models

45.8K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
45.8K
Molecular Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

58.6K
Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
58.6K
Protein Dynamics in Living Cells01:19

Protein Dynamics in Living Cells

2.8K
Different fluorescence-based techniques are used to study the protein dynamics in living cells. These techniques include FRAP, FRET, and PET.
Fluorescent recovery after photobleaching (FRAP) is a fluorescent-protein-based detection technique used to quantify protein movement rates within the cell. This method exposes a small portion of the cell to an intense laser beam. The laser beam causes permanent photobleaching of the fluorophore-tagged proteins in the exposed region. As the bleached...
2.8K
Fermi Level Dynamics01:12

Fermi Level Dynamics

1.1K
The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
1.1K
Molecular Kinetic Energy01:21

Molecular Kinetic Energy

6.0K
The word "gas" comes from the Flemish word meaning "chaos," first used to describe vapors by the chemist J. B. van Helmont. Consider a container filled with gas, with a continuous and random motion of molecules. During collisions, the velocity component parallel to the wall is unchanged, and the component perpendicular to the wall reverses direction but does not change in magnitude. If the molecule’s velocity changes in the x-direction, then its momentum is changed.
6.0K

You might also read

Related Articles

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

Sort by
Same author

Global Research Alliance N<sub>2</sub> O chamber methodology guidelines: Recommendations for air sample collection, storage, and analysis.

Journal of environmental quality·2020
Same author

Determining the optimal strategy for the live-attenuated herpes zoster vaccine in adults.

Vaccine·2018
Same author

DeepSite: protein-binding site predictor using 3D-convolutional neural networks.

Bioinformatics (Oxford, England)·2017
Same author

Respiratory-syncytial-virus- and rhinovirus-related bronchiolitis in children aged <2 years in an English district general hospital.

The Journal of hospital infection·2017
Same author

HTMD: High-Throughput Molecular Dynamics for Molecular Discovery.

Journal of chemical theory and computation·2016
Same author

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware.

Journal of chemical theory and computation·2015
Same journal

QSAR in the Browser: An Interactive Cheminformatics Web Application.

Journal of chemical information and modeling·2026
Same journal

FoldDoF: Utilizing the Primary Degrees of Freedom of Protein Backbone for Geometric Modeling and Generation.

Journal of chemical information and modeling·2026
Same journal

Derisking Affinity Optimization for Macrocycles and Cyclic Peptides: High-Precision Free Energy Simulations across Five Diverse Targets.

Journal of chemical information and modeling·2026
Same journal

An End-User Audit of Reproducibility, Data Leakage, and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards.

Journal of chemical information and modeling·2026
Same journal

PFASGroups: An Open-Source Framework for Automated Identification, Structural Classification, and Prioritization of Per- and Polyfluoroalkyl Substances.

Journal of chemical information and modeling·2026
Same journal

DeepKbhb: Context-Aware Prediction of Human Lysine β-Hydroxybutyrylation Sites.

Journal of chemical information and modeling·2026
See all related articles

Related Experiment Video

Updated: Apr 15, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

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

Published on: September 17, 2021

5.3K

AceCloud: Molecular Dynamics Simulations in the Cloud.

M J Harvey1, G De Fabritiis2,3

  • 1†Acellera, Barcelona Biomedical Research Park (PRBB), C/Dr. Aiguader 88, 08003 Barcelona, Spain.

Journal of Chemical Information and Modeling
|April 8, 2015
PubMed
Summary
This summary is machine-generated.

AceCloud offers on-demand molecular dynamics simulations using cloud computing. This service simplifies high-performance computing access for researchers, making complex simulations more accessible.

More Related Videos

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
05:00

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

Published on: August 9, 2024

2.1K
Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

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

Published on: September 1, 2023

3.5K

Related Experiment Videos

Last Updated: Apr 15, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

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

Published on: September 17, 2021

5.3K
Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
05:00

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

Published on: August 9, 2024

2.1K
Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

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

Published on: September 1, 2023

3.5K

Area of Science:

  • Computational Chemistry
  • Biophysics
  • Cloud Computing

Background:

  • Molecular dynamics (MD) simulations are crucial for understanding molecular behavior.
  • Accessing high-performance computing (HPC) resources for large-scale simulations can be complex and time-consuming.

Purpose of the Study:

  • To introduce AceCloud, an on-demand cloud-based service for executing molecular dynamics simulations.
  • To simplify the utilization of external cloud computing for researchers, abstracting the complexities of HPC.

Main Methods:

  • AceCloud service leverages Amazon Web Services for cloud infrastructure.
  • The AceCloud client is integrated within the ACEMD molecular dynamics package.
  • An intuitive user interface abstracts cloud interaction, providing a local execution experience.

Main Results:

  • Facilitates secure execution of large ensembles of molecular dynamics simulations.
  • Minimizes the learning curve for transitioning to cloud-based HPC services.
  • Provides a seamless user experience, as if simulations are running locally.

Conclusions:

  • AceCloud democratizes access to powerful computational resources for molecular dynamics.
  • The service enhances research efficiency by simplifying cloud-based simulation execution.
  • AceCloud represents a significant advancement in making HPC accessible to a broader scientific community.