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

Weighted Mean00:57

Weighted Mean

5.1K
While taking the arithmetic, geometric, or harmonic mean of a sample data set, equal importance is assigned to all the data points. However, all the values may not always be equally important in some data sets. An intrinsic bias might make it more important to give more weightage to specific values over others.
For example, consider the number of goals scored in the matches of a tournament. While computing the average number of goals scored in the tournament, it may be more important to...
5.1K
Bias01:22

Bias

4.2K
Bias refers to any tendency that prevents a question from being considered unprejudiced. In research, bias occurs when one outcome or answer is selected or encouraged over others in sampling or testing. Bias can occur during any research phase, including study design, data collection, analysis, and publication.
In statistics, a sampling bias is created when a sample is collected from a population, and some members of the population are not as likely to be chosen as others (remember, each member...
4.2K
Regression Toward the Mean01:52

Regression Toward the Mean

6.3K
Regression toward the mean (“RTM”) is a phenomenon in which extremely high or low values—for example, and individual’s blood pressure at a particular moment—appear closer to a group’s average upon remeasuring. Although this statistical peculiarity is the result of random error and chance, it has been problematic across various medical, scientific, financial and psychological applications. In particular, RTM, if not taken into account, can interfere when...
6.3K
Randomized Experiments01:13

Randomized Experiments

6.9K
The randomization process involves assigning study participants randomly to experimental or control groups based on their probability of being equally assigned. Randomization is meant to eliminate selection bias and balance known and unknown confounding factors so that the control group is similar to the treatment group as much as possible. A computer program and a random number generator can be used to assign participants to groups in a way that minimizes bias.
Simple randomization
Simple...
6.9K
Censoring Survival Data01:09

Censoring Survival Data

78
Survival analysis is a statistical method used to analyze time-to-event data, often employed in fields such as medicine, engineering, and social sciences. One of the key challenges in survival analysis is dealing with incomplete data, a phenomenon known as "censoring." Censoring occurs when the event of interest (such as death, relapse, or system failure) has not occurred for some individuals by the end of the study period or is otherwise unobservable, and it might have many different...
78
Testing a Claim about Population Proportion01:24

Testing a Claim about Population Proportion

3.3K
A complete procedure for testing a claim about a population proportion is provided here.
There are two methods of testing a claim about a population proportion: (1) Using the sample proportion from the data where a binomial distribution is approximated to the normal distribution and (2) Using the binomial probabilities calculated from the data.
The first method uses normal distribution as an approximation to the binomial distribution. The requirements are as follows: sample size is large...
3.3K

You might also read

Related Articles

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

Sort by
Same author

Inositol Thiophosphates as Inhibitors of Mammalian, Plant, and Fungal Phytases.

ACS chemical biology·2026
Same author

Synthesis and characterization of cortinarins - cryptic cyclic peptides from mushrooms of the genus <i>Cortinarius</i>.

Chemical science·2026
Same author

MDNA : a software module for DNA structure generation and analysis.

Nucleic acids research·2026
Same author

Nucleation of NaCl crystals from solution: Rate prediction and influence of noisy order parameters on the committor.

The Journal of chemical physics·2026
Same author

Understanding Mechanisms of Molecular Rare Events from Start to Finish.

Physical review letters·2026
Same author

Polyfluoroalkyl-Tagged Cell-Penetrating Peptide-Additives Enhance Intracellular Protein Delivery via Sustained Monomeric Lipid Interaction.

Angewandte Chemie (International ed. in English)·2026

Related Experiment Video

Updated: Jun 22, 2025

Inverse Probability of Treatment Weighting Propensity Score using the Military Health System Data Repository and National Death Index
06:55

Inverse Probability of Treatment Weighting Propensity Score using the Military Health System Data Repository and National Death Index

Published on: January 8, 2020

14.4K

Dynamical Reweighting for Biased Rare Event Simulations.

Bettina G Keller1, Peter G Bolhuis2

  • 1Department of Biology, Chemistry and Pharmacy, Freie Universität Berlin, Berlin, Germany;

Annual Review of Physical Chemistry
|June 28, 2024
PubMed
Summary

Dynamical reweighting recovers accurate molecular dynamics from simulations with altered energy surfaces. This method is crucial for unbiasing enhanced sampling simulations of rare molecular events.

Keywords:
dynamical reweightingenhanced samplingmolecular simulationpath reweightingpotential energy surfacerare events

More Related Videos

Using the Race Model Inequality to Quantify Behavioral Multisensory Integration Effects
08:13

Using the Race Model Inequality to Quantify Behavioral Multisensory Integration Effects

Published on: May 10, 2019

6.3K
Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances
07:35

Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances

Published on: October 11, 2018

7.5K

Related Experiment Videos

Last Updated: Jun 22, 2025

Inverse Probability of Treatment Weighting Propensity Score using the Military Health System Data Repository and National Death Index
06:55

Inverse Probability of Treatment Weighting Propensity Score using the Military Health System Data Repository and National Death Index

Published on: January 8, 2020

14.4K
Using the Race Model Inequality to Quantify Behavioral Multisensory Integration Effects
08:13

Using the Race Model Inequality to Quantify Behavioral Multisensory Integration Effects

Published on: May 10, 2019

6.3K
Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances
07:35

Selecting Multiple Biomarker Subsets with Similarly Effective Binary Classification Performances

Published on: October 11, 2018

7.5K

Area of Science:

  • Computational chemistry
  • Molecular dynamics
  • Statistical mechanics

Background:

  • Molecular dynamics simulations are essential for studying molecular behavior.
  • Enhanced sampling methods are used to overcome energy barriers in simulations.
  • Modified potential energy surfaces are often employed in enhanced sampling.

Purpose of the Study:

  • To review theoretical frameworks for dynamical reweighting with modified potentials.
  • To discuss techniques for reweighting different types of molecular dynamics.
  • To explore the integration of dynamical reweighting with other simulation methods.

Main Methods:

  • Review of kinetic models with increasing levels of detail.
  • Discussion of techniques for reweighting two-state and multistate dynamics.
  • Exploration of path integral reweighting and transition path sampling.

Main Results:

  • Theoretical frameworks for dynamical reweighting of modified potentials are presented.
  • Techniques are discussed for various dynamical scenarios, including rare events.
  • The link between dynamical reweighting, transition path sampling, and nonequilibrium forces is explored.

Conclusions:

  • Dynamical reweighting is a key technique for accurate molecular dynamics from modified potentials.
  • The review covers a range of methods applicable to complex molecular systems.
  • Future integration with collective variable optimization and modern potential energy surfaces is highlighted.