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相关概念视频

Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

17.9K
The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this...
17.9K
Conformations of Cyclohexane02:11

Conformations of Cyclohexane

15.2K
Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
15.2K
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

1.3K
At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
1.3K
Conformations of Butane02:20

Conformations of Butane

17.6K
Unlike ethane and propane that have only two major conformations, butane has more than two conformers. The staggered form of butane in which the bulky methyl groups on the two carbons are placed on opposite sides, that is, at a dihedral angle of 180°, is the lowest energy, most stable form — called the anti conformer. This conformation is stabilized due to the absence of steric repulsion between the largely spaced out methyl groups. The other two staggered conformations are...
17.6K
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

1.7K
The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
1.7K
Conformations of Ethane and Propane02:18

Conformations of Ethane and Propane

16.8K
In an organic molecule, free rotation about the carbon-carbon single bond results in energetically different conformers of the molecule. Due to this rotation, called the internal rotation, ethane has two major conformations — staggered and eclipsed.
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered...
16.8K

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相关实验视频

Updated: Jan 17, 2026

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
05:56

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on: October 13, 2022

1.7K

在CASP16中建模替代的合规状态.

Namita Dube1, Theresa A Ramelot1, Tiburon L Benavides1

  • 1Dept of Chemistry and Chemical Biology, Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, New York, 12180 USA.

bioRxiv : the preprint server for biology
|September 15, 2025
PubMed
概括
此摘要是机器生成的。

CASP16实验表明,虽然蛋白质建模已经进步,但准确预测多个蛋白质和核酸状态仍然具有挑战性. 目前的方法与构造集团,特别是RNA和大型复合体,存在困难.

关键词:
在AlphaFold2中,我们使用了AlphaFold2.卡斯普 (CASP) 是一种构造动力学 构造动力学深度学习是一种深度学习.多状态建模预测预测.核酸是核酸中的一种.蛋白质结构预测 蛋白质结构预测

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Interactive Molecular Model Assembly with 3D Printing
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Interactive Molecular Model Assembly with 3D Printing

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Combining X-Ray Crystallography with Small Angle X-Ray Scattering to Model Unstructured Regions of Nsa1 from S. Cerevisiae
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Combining X-Ray Crystallography with Small Angle X-Ray Scattering to Model Unstructured Regions of Nsa1 from S. Cerevisiae

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相关实验视频

Last Updated: Jan 17, 2026

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
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Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

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Interactive Molecular Model Assembly with 3D Printing
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Interactive Molecular Model Assembly with 3D Printing

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Combining X-Ray Crystallography with Small Angle X-Ray Scattering to Model Unstructured Regions of Nsa1 from S. Cerevisiae
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Combining X-Ray Crystallography with Small Angle X-Ray Scattering to Model Unstructured Regions of Nsa1 from S. Cerevisiae

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科学领域:

  • 结构生物学 结构生物学
  • 计算生物学 计算生物学
  • 生物物理学的生物物理.

背景情况:

  • 在CASP16集体预测实验中,评估了模拟不同形状分子的计算方法.
  • 精确的蛋白质,核酸及其复合体在多个构造状态中的建模对于理解生物功能至关重要.

研究的目的:

  • 评估多态分子系统的计算建模的最新状态.
  • 在预测形态组合方面识别进展和持续的挑战.

主要方法:

  • 对多状态目标的实验结构进行计算模型对比的评估.
  • 使用TM-score对蛋白质-连接体复合体,蛋白质-DNA复合体和各种RNA结构的预测准确性的分析.
  • 不同预测策略的比较,包括AlphaFold2和AlphaFold3.

主要成果:

  • 一些方法在一些多状态蛋白质点上取得了合理的准确性,特别是当模板结构可用时.
  • 在之前的CASP实验中,多州目标的总体预测准确性低于单州目标.
  • 采用增强协议的AlphaFold2和AlphaFold3服务器显示出有希望的结果,但个别组有时表现优于它们.
  • 对RNA标和蛋白质-DNA复合体的预测通常没有达到预期的准确度水平.

结论:

  • 在准确建模形态组合方面仍然存在重大挑战,特别是对于RNA和大型分子组合.
  • 多态建模是结构生物学中的关键前沿,需要进一步的方法开发.