Xinqiang Ding1

  • 1Department of Chemistry, Tufts University, 62 Talbot Avenue, Medford, Massachusetts 02155, United States.

概括

贝叶斯MBAR是一种贝叶斯式方法,通过提供比多状态贝内特接受率 (MBAR) 方法更准确的不确定性估计来增强自由能源计算. 它还结合了用于改进热力学状态自由能量估计的先前知识.

相关概念视频

Mechanistic Models: Compartment Models in Individual and Population Analysis01:23

Mechanistic Models: Compartment Models in Individual and Population Analysis

Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least...
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Probability Laws01:49

Probability Laws

Overview
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Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
54
Binomial Probability Distribution01:15

Binomial Probability Distribution

A binomial distribution is a probability distribution for a procedure with a fixed number of trials, where each trial can have only two outcomes.
The outcomes of a binomial experiment fit a binomial probability distribution. A statistical experiment can be classified as a binomial experiment if the following conditions are met:
There are a fixed number of trials. Think of trials as repetitions of an experiment. The letter n denotes the number of trials.
There are only two possible outcomes,...
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One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation01:24

One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation

This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
On...
502
Actuarial Approach01:20

Actuarial Approach

The actuarial approach, a statistical method originally developed for life insurance risk assessment, is widely used to calculate survival rates in clinical and population studies. This method accounts for participants lost to follow-up or those who die from causes unrelated to the study, ensuring a more accurate representation of survival probabilities.
Consider the example of a high-risk surgical procedure with significant early-stage mortality. A two-year clinical study is conducted,...
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