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

Neuron Structure01:31

Neuron Structure

Overview
Neuron Structure01:30

Neuron Structure

Neurons are the main type of cell in the nervous system that generate and transmit electrochemical signals. They primarily communicate with each other using neurotransmitters at specific junctions called synapses. Neurons come in many shapes that often relate to their function, but most share three main structures: an axon and dendrites that extend out from a cell body.
Structure and Function of Neurons
The neuronal cell body—the soma— houses the nucleus and organelles vital to cellular...
Neurons: The Axon01:21

Neurons: The Axon

Axons are long, cytoplasmic processes of nerve cells capable of propagating electrical impulses known as action potentials. The cytoplasm or axoplasm of an axon contains neurofibrils, neurotubules, small vesicles, lysosomes, mitochondria, and various enzymes, all encased within the axolemma, the plasma membrane of the axon.
The axon attaches to the cell body at a cone-shaped elevation called the axon hillock. The initial part of the axon, closest to the hillock, is known as the initial segment.
Overview of Synapses01:25

Overview of Synapses

A synapse is a specialized structure where two neurons connect, allowing them to pass an electrical or chemical signal to another neuron. It is the point of communication between neurons. The term "synapse" is derived from the Greek word "synapsis," which means "conjunction." The entire process of neural communication revolves around the synapse. When activated, a neuron releases chemicals known as neurotransmitters into the synapse. These neurotransmitters cross the synapse and bind to...
Neural Circuits01:25

Neural Circuits

Neural circuits and neuronal pools are two of the main structures found in the nervous system. Neural circuits are networks of neurons that work together to carry out a specific task or process. They consist of interconnected neurons and glial cells, which provide structural and metabolic support.
Neuronal pools are collections of nerve cells with similar functions and interact through chemical and electrical signals. These pools include both interneurons (the central neural circuit nodes that...
Neuronal Communication01:28

Neuronal Communication

Neurons, the fundamental units of the brain and nervous system, communicate through complex electrochemical signals that underpin all cognitive and bodily functions. This communication is primarily facilitated by a process involving the generation and propagation of an action potential along the axon of the neuron. When the internal electrical charge of a neuron surpasses a certain threshold, an action potential is triggered. This rapid change in voltage travels swiftly along the axon to the...

You might also read

Related Articles

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

Sort by
Same author

hexABC seeking the physical code of DNA.

Nature communications·2026
Same author

Decoding Cancer-Associated Mutations in DNA Polymerase η through Atomistic Simulations.

Journal of chemical theory and computation·2026
Same author

Screening assay to monitor mono-ADP-ribosylhydrolase activity of viral macrodomains in cells.

Communications biology·2026
Same author

pH-dependent structural dynamics of neuropeptide Y in aqueous solution.

PloS one·2026
Same author

Generative Modeling of Entangled Polymers with a Distance-Based Variational Autoencoder.

Journal of chemical theory and computation·2026
Same author

MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations.

Journal of chemical information and modeling·2026
Same journal

Nuclear Gradients from Auxiliary-Field Quantum Monte Carlo and Their Applications in ML-Driven Geometry Optimization and Transition State Search.

Journal of chemical theory and computation·2026
Same journal

Correction to "Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems".

Journal of chemical theory and computation·2026
Same journal

Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy.

Journal of chemical theory and computation·2026
Same journal

Systematic Molecularity-Dependent Entropy Errors in Continuum/RRHO Solution Thermochemistry: Origin and Correction.

Journal of chemical theory and computation·2026
Same journal

After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective.

Journal of chemical theory and computation·2026
Same journal

Sample-Based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds.

Journal of chemical theory and computation·2026
See all related articles

Related Experiment Video

Updated: Jun 15, 2026

3D Modeling of Dendritic Spines with Synaptic Plasticity
07:13

3D Modeling of Dendritic Spines with Synaptic Plasticity

Published on: May 18, 2020

7.3K

From Atoms to Neuronal Spikes: A Multiscale Simulation Framework.

Ana Damjanovic1,2,3, Vincenzo Carnevale4,5, Thorsten Hater6

  • 1Department of Biophysics, Johns Hopkins University, Baltimore, Maryland 21218, United States.

Journal of Chemical Theory and Computation
|January 13, 2026
PubMed
Summary
This summary is machine-generated.

This study introduces a multiscale simulation method linking molecular dynamics and neuronal simulations to predict how ion channel changes affect neuronal excitability. This approach helps understand neurological diseases and design neuroactive drugs.

More Related Videos

Computational Modeling of Retinal Neurons for Visual Prosthesis Research - Fundamental Approaches
10:50

Computational Modeling of Retinal Neurons for Visual Prosthesis Research - Fundamental Approaches

Published on: June 21, 2022

2.1K
Author Spotlight: Advancing Large-Scale Neural Dynamics Through HD-MEA Technology
09:44

Author Spotlight: Advancing Large-Scale Neural Dynamics Through HD-MEA Technology

Published on: March 8, 2024

5.8K

Related Experiment Videos

Last Updated: Jun 15, 2026

3D Modeling of Dendritic Spines with Synaptic Plasticity
07:13

3D Modeling of Dendritic Spines with Synaptic Plasticity

Published on: May 18, 2020

7.3K
Computational Modeling of Retinal Neurons for Visual Prosthesis Research - Fundamental Approaches
10:50

Computational Modeling of Retinal Neurons for Visual Prosthesis Research - Fundamental Approaches

Published on: June 21, 2022

2.1K
Author Spotlight: Advancing Large-Scale Neural Dynamics Through HD-MEA Technology
09:44

Author Spotlight: Advancing Large-Scale Neural Dynamics Through HD-MEA Technology

Published on: March 8, 2024

5.8K

Area of Science:

  • Computational neuroscience
  • Molecular biophysics
  • Pharmacology

Background:

  • Understanding ion channel function is crucial for elucidating neurological diseases and designing drugs.
  • Current models often lack the integration of molecular-level changes with neuronal network behavior.

Purpose of the Study:

  • To develop and validate a multiscale simulation framework connecting molecular and neuronal simulations.
  • To predict the impact of ion channel variations on neuronal excitability and membrane potential dynamics.

Main Methods:

  • Coupling molecular dynamics (MD) simulations of AMPA receptors (AMPARs) with detailed neuronal models (Arbor framework).
  • Integrating coarse-grained Monte Carlo gating simulations of voltage-gated ion channels with Arbor models for bidirectional feedback.
  • Investigating the influence of lipid membrane composition on ion channel gating.

Main Results:

  • MD simulations revealed altered current and conductance in disease-associated AMPAR variants, impacting neuronal excitability.
  • Bidirectional coupling between ion channel states and membrane potential was established, consistent with electrophysiological recordings.
  • The study demonstrated the framework's ability to link atomistic perturbations to macroscopic neuronal function.

Conclusions:

  • The proposed multiscale simulation approach effectively links molecular events to neuronal excitability.
  • This framework provides a powerful tool for studying neurological disease mechanisms and guiding neuroactive drug discovery.
  • The inclusion of lipid membrane effects offers a more comprehensive understanding of ion channel behavior.