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相关概念视频

Orthogonal Trajectories01:26

Orthogonal Trajectories

49
Orthogonal trajectories describe the geometric relationship between two families of curves that intersect each other at right angles. One illustrative case involves a family of parabolas that open sideways along the x-axis. These curves share a common shape but differ by a scaling parameter, resulting in a set of curves that all pass through the origin and widen at different rates.Determining Orthogonal TrajectoriesTo identify the orthogonal trajectories for these parabolas, the first step...
49
Relaxation of Skeletal Muscles01:29

Relaxation of Skeletal Muscles

5.8K
The period of muscle contraction primarily influences the duration of stimulation at the neuromuscular junction (NMJ), the presence of free calcium ions in the sarcoplasm, and the availability of energy or ATP to support contractions.
When an action potential reaches the axon terminal, it depolarizes the membrane and opens voltage-gated sodium channels. Sodium ions enter the cell, further depolarizing the presynaptic membrane. This depolarization causes voltage-gated calcium channels to open....
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Classification of Skeletal Muscle Relaxants01:28

Classification of Skeletal Muscle Relaxants

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Skeletal muscle relaxants are a group of drugs that can reduce muscle stiffness and induce temporary paralysis to relieve pain. These agents can act centrally to reduce muscle tone or spasms in painful conditions such as multiple sclerosis (MS), amyotrophic lateral sclerosis (ALS), or spinal injuries; they are called antispasmodics or spasmolytics.
Peripherally acting skeletal muscle relaxants interfere with the neurotransmission at the neuromuscular end plate to induce paralysis during...
3.1K
Skeletal Muscle Relaxants: Therapeutic Uses01:31

Skeletal Muscle Relaxants: Therapeutic Uses

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Skeletal muscle relaxants are used to relax muscle tone and alleviate painful muscle contractions. However, the choice of skeletal muscle relaxants depends on the duration of the surgical procedure in order to minimize potential side effects. Skeletal muscle relaxants like neuromuscular blocking agents [NMBAs] are commonly employed as adjuvants alongside general anesthetics in clinical settings. NMBAs are also used to maintain controlled ventilation during surgery of the larynx or pharynx...
958
Skeletal Muscle Relaxants: Adverse Effects01:21

Skeletal Muscle Relaxants: Adverse Effects

817
Skeletal muscle relaxants are widely used for muscle paralysis and relieving pain following any muscle injury or stiffness. However, depending on the drug type, they can have adverse effects that range from mild to severe. Usually, nondepolarizing neuromuscular blockers have minimal side effects. For example, drugs like d-tubocurarine, cisatracurium, and rocuronium cause hypotension, whereas drugs like baclofen, when stopped abruptly, can lead to the recurrence of spastic conditions.
Unlike...
817
Centrally Acting Muscle Relaxants: Therapeutic Uses01:24

Centrally Acting Muscle Relaxants: Therapeutic Uses

1.3K
Centrally acting muscle relaxants reduce muscle tone and tension by interfering with the postsynaptic reflexes in the central nervous system.
Centrally acting drugs are classified into spasmolytic and antispasmodic drugs. Spasmolytic drugs such as baclofen, diazepam, and tizanidine inhibit spinal motor neurons and decrease muscle tone. Spasmolytic drugs are administered for severe and chronic spasms due to multiple sclerosis, cerebral palsy, stroke, and spinal cord and muscle injuries. However,...
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相关实验视频

Updated: Jan 31, 2026

Author Spotlight: Exploring Intrinsically Disordered Protein Dynamics Through NMR Relaxation Experiments
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Traj2Relax:一个轨迹监督的方法,用于坚固的结构放松.

Zhiyuan Liu1, Quan Qian1,2,3

  • 1School of Computer Engineering & Science, Shanghai University, Shanghai 200444, China.

Journal of chemical information and modeling
|January 30, 2026
PubMed
概括
此摘要是机器生成的。

一个新的框架Traj2Relax通过从模拟轨迹中学习,有效地模拟原子结构放松. 它为材料建模提供了一个物理一致和计算速度更快的替代方案,特别是对于高度扰乱的结构.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学计算化学
  • 物理 物理学 物理

背景情况:

  • 结构放松对于原子模拟和材料建模至关重要.
  • 传统方法在计算上昂贵,限制了高通量应用.

研究的目的:

  • 介绍Traj2Relax,这是一个新的轨迹监督框架,用于高效的结构放松.
  • 在各种扰动大小中实现物理一致的结构融合.

主要方法:

  • 从放松轨迹的几何差异中学习一个依赖时间的速度场.
  • 使用条件速度场建模,避免了明确的能量/力计算.
  • 包含一个时间调度的噪声机制,用于训练稳定性和确定性推理.

主要成果:

  • 在接近平衡的条件下达到竞争性的精度 (0.26 Å RMSD,82.3%的空间组一致性).
  • 在中度至强度扰动下表现出优异的性能 (0.38 Å RMSD,5.8%的恢复率).
  • 通过批量并行放松,在推理吞吐量上提供了数量级的改进.

结论:

  • Traj2Relax为学习驱动的结构放松提供了一种高效,有物理依据的替代方案.
  • 该框架在高通量选方面表现出色,特别是在不平衡或高度扰乱的结构中.