Jove
Visualize
Contáctanos
JoVE
x logofacebook logolinkedin logoyoutube logo
ACERCA DE JoVE
Visión GeneralLiderazgoBlogCentro de Ayuda JoVE
AUTORES
Proceso de PublicaciónConsejo EditorialAlcance y PolíticasRevisión por ParesPreguntas FrecuentesEnviar
BIBLIOTECARIOS
TestimoniosSuscripcionesAccesoRecursosConsejo Asesor de BibliotecasPreguntas Frecuentes
INVESTIGACIÓN
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchivo
EDUCACIÓN
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualCentro de Recursos para ProfesoresSitio de Profesores
Términos y Condiciones de Uso
Política de Privacidad
Políticas

Videos de Conceptos Relacionados

Molecular Models02:00

Molecular Models

43.8K
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.
43.8K
Theoretical Approaches to Psychological Disorder01:29

Theoretical Approaches to Psychological Disorder

874
The development of psychological disorders, which are characterized by deviant, maladaptive, and personally distressing behaviors, has been explored through several theoretical approaches.
Biological approach
The biological approach posits that internal, organic factors are the primary causes of such disorders. This perspective emphasizes brain structure and function, genetic predispositions, and neurotransmitter imbalances. For example, schizophrenia has been associated with both genetic...
874
Theoretical Foundations of Nursing Practice01:30

Theoretical Foundations of Nursing Practice

17.7K
Theories play an essential role in organizing patient care. Theories refer to a proposed or followed belief, policy, or procedure that is the basis for action. Nursing theories are knowledge-based concepts that guide nurses' actions, influence nursing education and practice, and allow nurses to care for their patients.
Theories provide a perspective to assess patients' conditions and organize data and methods. They also assist in analyzing and interpreting information. They represent a...
17.7K
Accelerators01:17

Accelerators

292
Accelerators in concrete serve as admixtures to speed up the hardening process, enabling the concrete to achieve early strength faster. Although accelerators do not necessarily impact the time it takes concrete to set, they reduce this time in practice. A common accelerator is calcium chloride, which is particularly useful for hastening early strength development in cold weather or for rapid repair jobs that require quick heat generation after mixing.
The effectiveness of calcium chloride can...
292
Random Error01:04

Random Error

9.8K
Random or indeterminate errors originate from various uncontrollable variables, such as variations in environmental conditions, instrument imperfections, or the inherent variability of the phenomena being measured. Usually, these errors cannot be predicted, estimated, or characterized because their direction and magnitude often vary in magnitude and direction even during consecutive measurements. As a result, they are difficult to eliminate. However, the aggregate effect of these errors can be...
9.8K
Random Variables01:09

Random Variables

17.9K
A random variable is a single numerical value that indicates the outcome of a procedure. The concept of random variables is fundamental to the probability theory and was introduced by a Russian mathematician, Pafnuty Chebyshev, in the mid-nineteenth century.
Uppercase letters such as X or Y denote a random variable. Lowercase letters like x or y denote the value of a random variable. If X is a random variable, then X is written in words, and x is given as a number.
For example, let X = the...
17.9K

También podría leer

Artículos Relacionados

Artículos vinculados a este trabajo por autores compartidos, revista y gráfico de citas.

Ordenar por
Same author

Good Practices for Simulation Studies Published in <i>The Journal of Physical Chemistry B</i>.

The journal of physical chemistry. B·2026
Same author

Cryo-Electron Microscopy Structural Ensemble Optimization Using Individual Particles.

Journal of chemical theory and computation·2026
Same author

Mechanistic Insight into Conformational Control of Enzyme Activity by Genetically Encoded Metal-Responsive Switches.

Chembiochem : a European journal of chemical biology·2026
Same author

An Expanded Markov State Model-Transition Path Theory Framework for Ion Conduction Reactive Pathways through Membrane Channels.

The journal of physical chemistry letters·2026
Same author

Counting particles in cryo-electron microscopy may result in incorrect population estimates.

Communications biology·2026
Same author

Machine learning for biomolecular modeling.

The Journal of chemical physics·2026
Same journal

The influence of chirality on the macroscopic behavior of multiferroic smectic phases.

The Journal of chemical physics·2026
Same journal

Polaron transformed canonically consistent quantum master equation.

The Journal of chemical physics·2026
Same journal

The x-ray absorption spectrum of the propargyl radical C3H3●.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics.

The Journal of chemical physics·2026
Same journal

Quantum state-to-state dynamics studies of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction based on a new HCO(12A″) potential energy surface.

The Journal of chemical physics·2026
Ver todos los artículos relacionados

Video Experimental Relacionado

Updated: Feb 11, 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

5.1K

Un marco teórico para las simulaciones de dinámica molecular de aceleración aleatoria.

Yiwei Ding1, Alessia Ghidini1, Pilar Cossio2,3

  • 1Department of Biochemistry and Molecular Biology, Department of Chemistry, The University of Chicago, 5735 S Ellis Ave, Chicago, Illinois 60637, USA.

The Journal of chemical physics
|February 10, 2026
PubMed
Resumen
Este resumen es generado por máquina.

Desarrollamos una teoría para interpretar las simulaciones de Dinámica Molecular de Aceleración Aleatoria (RAMD), permitiendo estimaciones imparciales de los tiempos de disociación ligando-receptor. Este marco proporciona un método sólido para analizar los resultados de la dinámica molecular acelerada.

Más Videos Relacionados

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

885
Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
15:05

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation

Published on: May 20, 2020

9.3K

Videos de Experimentos Relacionados

Last Updated: Feb 11, 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

5.1K
Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

885
Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
15:05

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation

Published on: May 20, 2020

9.3K

Área de la Ciencia:

  • Química computacional es la química computacional.
  • La biofísica es la biofísica.
  • Dinámica molecular La dinámica molecular es la dinámica molecular.

Sus antecedentes:

  • La disociación ligando-receptor es un proceso lento, que desafía los métodos de simulación estándar.
  • Técnicas especializadas como la Dinámica Molecular de Aceleración Aleatoria (RAMD, por sus siglas en inglés) aceleran estas simulaciones.
  • Actualmente falta un marco teórico para el análisis imparcial de los resultados de RAMD.

Objetivo del estudio:

  • Desarrollar un marco teórico para la interpretación de simulaciones RAMD.
  • Para derivar una expresión analítica para tiempos de escape imparciales de los datos RAMD.
  • Para validar la teoría utilizando simulaciones de disociación proteína-ligando.

Principales métodos:

  • Simulaciones aproximadas de RAMD con dinámica de Langevin sobrecalentada.
  • Utilizando una ecuación de Smoluchowski con una temperatura efectiva y un coeficiente de difusión.
  • Derivar una expresión analítica para el tiempo de escape imparcial sobre una barrera de energía libre.

Principales resultados:

  • La dinámica del modelo RAMD es consistente con una ecuación modificada de Smoluchowski.
  • La temperatura efectiva y los coeficientes de difusión dependen cuadráticamente de la magnitud de la fuerza aleatoria.
  • Se derivó y validó una expresión analítica para el tiempo de escape imparcial.

Conclusiones:

  • La teoría desarrollada proporciona una base sólida para interpretar las simulaciones RAMD.
  • El marco permite la extracción de estimaciones imparciales de la dinámica molecular acelerada.
  • Este enfoque tiene aplicaciones potenciales en el análisis de la disociación compleja proteína-ligando.