Related Experiment Video

Updated: Mar 26, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.5K

Advanced Sampling for Molecular Simulation is Coming of Age

Wei Yang1,2

  • 1Department of Chemistry & Biochemistry, Florida State University, Tallahassee, Florida 32306.

Journal of Computational Chemistry
|February 11, 2016
PubMed
Summary

No abstract available in PubMed .

More Related Videos

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

3.6K
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

9.4K

Related Experiment Videos

Last Updated: Mar 26, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.5K
Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

3.6K
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

9.4K

Related Concept Videos

Sampling Methods: Overview01:06

Sampling Methods: Overview

3.9K
A sample refers to a smaller subset representative of a larger population. In analytical chemistry, studying or analyzing an entire population is often impractical or impossible. Therefore, samples are used to draw inferences and generalize the whole population. The sampling method selects individuals or items from a population to create a sample. Standard sampling methods include random, judgemental, systematic, stratified, and cluster sampling. 
In analytical chemistry, the choice of...
3.9K
Sampling Plans01:23

Sampling Plans

1.3K
Sampling is a crucial step in analytical chemistry, allowing researchers to collect representative data from a large population. Common sampling methods include random, judgmental, systematic, stratified, and cluster sampling.
Random sampling is a method where each member of the population has an equal chance of being selected for the sample. It involves selecting individuals randomly, often using random number generators or lottery-type methods. For example, when analyzing the properties of a...
1.3K

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

Zwitterionic poly(carboxybetaine) hydrogels for glucose biosensors in complex media.

Biosensors & bioelectronics·2010

Topoisomerases and site-specific recombinases: similarities in structure and mechanism.

Critical reviews in biochemistry and molecular biology·2010

Development and validation of an UPLC-DAD-MS method for the determination of leonurine in Chinese motherwort (Leonurus japonicus).

Journal of chromatographic science·2010

Effects of Ca2+ and Mg2+ on defluoridation in the electrocoagulation process.

Environmental science & technology·2010

Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).

Proceedings of the National Academy of Sciences of the United States of America·2010

Dwarf apple MbDREB1 enhances plant tolerance to low temperature, drought, and salt stress via both ABA-dependent and ABA-independent pathways.

Planta·2010

Structure, Stability, Spectroscopy and Chemical Bonding Analyses on the Novel X6 (X = N, P, As, Sb, Bi) Molecules.

Journal of computational chemistry·2026

Development of a Conformational Sampling Method for Transition State Structures With Diverse Active Bond Lengths.

Journal of computational chemistry·2026

Non-Bivariational Time-Dependent Orbital-Quasi-Optimized Coupled-Cluster Methods Family for Fermion-Mixtures Dynamics.

Journal of computational chemistry·2026

Integrating Coupled-Cluster Theory Within AI Workflows for Accurate Molecular Geometries.

Journal of computational chemistry·2026

Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis.

Journal of computational chemistry·2026

Accelerated "On-the-Fly" Coupled-Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton.

Journal of computational chemistry·2026

Viewpoint on the WebMO First 25 Years Symposium at the Fall 2025 ACS Meeting.

The journal of physical chemistry. A·2026

Prediction of severe caffeine intoxication: a bedside clinical model with implications for extracorporeal therapy.

Clinical toxicology (Philadelphia, Pa.)·2026

Predicting 2,000-meter rowing ergometer performance with 7-stroke peak power, 20-Second, and 60-Second maximal effort tests in NCAA DI female rowers.

Frontiers in physiology·2026

[Quantitative CT analysis technique for determining the extent of silica-induced fibrosis in silicosis].

Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases·2026

Predictive Value of Coronary Artery Calcium Score From Nongated Chest CT Scans Compared With Gated Scans and Incidence of Cardiovascular Events.

Circulation·2026

Net force analysis of the B3LYP-D3BJ/DZVP subset of the SPICE dataset: A diagnostic tool for machine learning force fields.

Journal of molecular graphics & modelling·2026
See all related articles
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
Jove
Visualize
Contact Us