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相关概念视频

Virtual Work01:20

Virtual Work

1.3K
The principle of virtual work states that if a body is in static and dynamic equilibrium, then the sum of all the virtual work done by all external forces and couple moments for any given virtual displacement must be zero.
In static equilibrium, a body can experience an imaginary or virtual movement, such as displacement or rotation. The virtual work done by a force is equal to the dot product of force and virtual displacement in the direction of the force. When it comes to virtually rotating a...
1.3K
Drag01:23

Drag

350
Drag is a resistive force opposing an object’s motion through a fluid, resulting from surface pressure and shear forces. It comprises two components: a perpendicular one from pressure and a tangential one from shear stress. Accurate drag calculations use pressure and wall shear stress distributions, often determined through Computational Fluid Dynamics (CFD) or wind tunnel testing. The drag coefficient, a dimensionless measure, depends on factors like shape, Reynolds number, Mach number,...
350
Buoyancy and Stability for Submerged and Floating Bodies01:11

Buoyancy and Stability for Submerged and Floating Bodies

2.5K
In fluid mechanics, buoyancy and stability are key concepts for understanding the behavior of submerged and floating bodies. When a stationary body is fully or partially submerged in a fluid, the fluid exerts a force on the body known as the buoyant force. This force acts vertically upward through a point called the center of buoyancy, which is the center of the displaced fluid volume. According to Archimedes' principle, the magnitude of the buoyant force is equal to the weight of the fluid...
2.5K
Drift Velocity01:19

Drift Velocity

5.3K
The high speed of electrical signals results from the fact that the force between charges acts rapidly at a distance. Thus, when a free charge is forced into a wire, the incoming charge pushes other charges ahead due to the repulsive force between like charges. These moving charges move the charges farther down the line. The density of charge in a system cannot easily be increased, so the signal is passed on rapidly. The resulting electrical shock wave moves through the system at nearly the...
5.3K
Escape Velocity01:26

Escape Velocity

8.3K
The escape velocity of an object is defined as the minimum initial velocity that it requires to escape the surface of another object to which it is gravitationally bound and never to return. For example, what would be the minimum velocity at which a satellite should be launched from the Earth's surface such that it just escapes the Earth's gravitational field?
To calculate the escape velocity, it is assumed that no energy is lost to any frictional forces. In practice, a satellite...
8.3K
Two-Compartment Open Model: Overview01:05

Two-Compartment Open Model: Overview

512
Multicompartmental models are crucial tools in pharmacokinetics, providing a framework to understand how drugs move within the body. The two-compartment model is a crucial subtype, segmenting the body into central and peripheral compartments. The central compartment represents areas with high blood flow, such as plasma and highly perfused organs like the kidneys and liver, while the peripheral compartment signifies tissues with lower blood flow, like adipose tissue and muscle tissue.
The...
512

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相关实验视频

Updated: Jan 6, 2026

Hand Controlled Manipulation of Single Molecules via a Scanning Probe Microscope with a 3D Virtual Reality Interface
11:00

Hand Controlled Manipulation of Single Molecules via a Scanning Probe Microscope with a 3D Virtual Reality Interface

Published on: October 2, 2016

9.4K

使用Molegro虚拟码头进行实践对接.

Damla Dere1, Sema Nur Pehlivan2, Amauri Duarte da Silva3

  • 1Department of Molecular Biology and Genetics, Faculty of Engineering and Natural Sciences, Kadir Has University, Istanbul, Turkey.

Methods in molecular biology (Clifton, N.J.)
|October 11, 2025
PubMed
概括
此摘要是机器生成的。

这项研究引入了一种新的工作流程,用于使用机器学习模型预测循环素依赖激酶2 (CDK2) 抑制. 将虚拟选与计算方法相结合,可以提高比传统评分函数的预测准确度.

关键词:
人工智能的人工智能是人工智能.停靠对接 停靠对接机器学习 机器学习莫莱格罗虚拟接口 (Molegro Virtual Docker) 是一个虚拟接口.桑德里斯 2.0 的版本评分功能的空间空间.

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Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis
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Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

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Multiparametric Tumor Organoid Drug Screening Using Widefield Live-Cell Imaging for Bulk and Single-Organoid Analysis
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Multiparametric Tumor Organoid Drug Screening Using Widefield Live-Cell Imaging for Bulk and Single-Organoid Analysis

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相关实验视频

Last Updated: Jan 6, 2026

Hand Controlled Manipulation of Single Molecules via a Scanning Probe Microscope with a 3D Virtual Reality Interface
11:00

Hand Controlled Manipulation of Single Molecules via a Scanning Probe Microscope with a 3D Virtual Reality Interface

Published on: October 2, 2016

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Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis
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Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

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Multiparametric Tumor Organoid Drug Screening Using Widefield Live-Cell Imaging for Bulk and Single-Organoid Analysis
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Multiparametric Tumor Organoid Drug Screening Using Widefield Live-Cell Imaging for Bulk and Single-Organoid Analysis

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科学领域:

  • 计算化学是一种计算化学.
  • 药物发现 药物发现
  • 在生物信息学中的机器学习.

背景情况:

  • 蛋白质 - 配体对接对于药物发现至关重要.
  • 预测结合亲和力和抑制是计算上具有挑战性的.
  • 循环素依赖性激酶2 (CDK2) 是癌症研究的一个关键目标.

研究的目的:

  • 开发一个工作流程,用于构建回归模型来预测CDK2抑制.
  • 将虚拟对接模拟与机器学习集成在一起,以提高预测.
  • 创建有针对性的评分功能,以提高准确性.

主要方法:

  • 使用Molegro虚拟对接器 (MVD) 进行蛋白质 - 连接体对接模拟.
  • 在搜索中使用差异进化和在绑定亲和中使用MolDock/Plants分数.
  • 使用 Scikit-Learn 构建机器学习模型,并使用对接衍生的原子坐标.

主要成果:

  • 开发了准确预测CDK2抑制的回归模型.
  • 与经典评分函数相比,实现了优越的预测性能.
  • 展示了一种实用的方法来整合对接和机器学习.

结论:

  • 拟议的工作流有效预测CDK2抑制.
  • 在对接数据上训练的机器学习模型为标准评分函数提供了强大的替代方案.
  • 该方法为加速针对CDK2.2的药物发现工作提供了有价值的工具.