相关实验视频

Updated: Jun 13, 2025

Optimization of Synthetic Proteins: Identification of Interpositional Dependencies Indicating Structurally and/or Functionally Linked Residues
07:08

Optimization of Synthetic Proteins: Identification of Interpositional Dependencies Indicating Structurally and/or Functionally Linked Residues

Published on: July 14, 2015

7.3K

DeepLNE++利用知识蒸来加速多状态路径类型的集体变量

Thorben Fröhlking1,2,3, Valerio Rizzi1,2,3, Simone Aureli1,2,3

  • 1School of Pharmaceutical Sciences, University of Geneva, Rue Michel Servet 1, 1206 Genève, Switzerland.

The Journal of chemical physics
|September 16, 2024
PubMed
概括

DeepLNE++ 通过知识蒸加速了分子动力学模拟,用于增强生物分子建模. 这种机器学习方法提高了对复杂系统的自由能量景观计算的准确性和效率.

更多相关视频

Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline10:44

Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline

Published on: December 7, 2021

2.1K
Author Spotlight: Advancing Alzheimer's Research – Exploring Early Detection and Multi-Omics Approaches09:47

Author Spotlight: Advancing Alzheimer's Research – Exploring Early Detection and Multi-Omics Approaches

Published on: December 15, 2023

983

相关概念视频

Distributed Loads: Problem Solving01:21

Distributed Loads: Problem Solving

Beams are structural elements commonly employed in engineering applications requiring different load-carrying capacities. The first step in analyzing a beam under a distributed load is to simplify the problem by dividing the load into smaller regions, which allows one to consider each region separately and calculate the magnitude of the equivalent resultant load acting on each portion of the beam. The magnitude of the equivalent resultant load for each region can be determined by calculating...
636
Path Between Thermodynamics States01:21

Path Between Thermodynamics States

Consider the two thermodynamic processes involving an ideal gas that are represented by paths AC and ABC in Figure 1:
3.1K
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...
45
Multicompartment Models: Overview01:14

Multicompartment Models: Overview

Multicompartment models are mathematical constructs that depict how drugs are distributed and eliminated within the body. They segment the body into several compartments, symbolizing various physiological or anatomical areas connected through drug transfer processes such as absorption, metabolism, distribution, and elimination.
These models offer a more comprehensive representation of drug behavior in the body than one-compartment models. They accommodate the complexity of drug distribution,...
113
Collisions in Multiple Dimensions: Problem Solving01:06

Collisions in Multiple Dimensions: Problem Solving

In multiple dimensions, the conservation of momentum applies in each direction independently. Hence, to solve collisions in multiple dimensions, we should write down the momentum conservation in each direction separately. To help understand collisions in multiple dimensions, consider an example.
A small car of mass 1,200 kg traveling east at 60 km/h collides at an intersection with a truck of mass 3,000 kg traveling due north at 40 km/h. The two vehicles are locked together. What is the...
3.7K
Ampere-Maxwell's Law: Problem-Solving01:17

Ampere-Maxwell's Law: Problem-Solving

A parallel-plate capacitor with capacitance C, whose plates have area A and separation distance d, is connected to a resistor R and a battery of voltage V. The current starts to flow at t = 0. What is the displacement current between the capacitor plates at time t? From the properties of the capacitor, what is the corresponding real current?
To solve the problem, we can use the equations from the analysis of an RC circuit and Maxwell's version of Ampère's law.
For the first part of...
562