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相关概念视频

Batteries and Fuel Cells03:12

Batteries and Fuel Cells

A battery is a galvanic cell that is used as a source of electrical power for specific applications. Modern batteries exist in a multitude of forms to accommodate various applications, from tiny button batteries such as those that power wristwatches to the very large batteries used to supply backup energy to municipal power grids. Some batteries are designed for single-use applications and cannot be recharged (primary cells), while others are based on conveniently reversible cell reactions that...
Energy to Drive Translocation01:37

Energy to Drive Translocation

Mitochondrial protein import is powered by two distinct energy sources: ATP hydrolysis and electrochemical potential across the inner membrane. Newly synthesized precursors are bound by cytosolic chaperones of the Hsp70 family, which guide them to the import receptors on the mitochondrial surface. Utilizing the energy of ATP hydrolysis, Hsp70 chaperones transfer these precursors to the TOM receptors on the mitochondrial outer membrane.
Generally, polypeptides are unfolded by two distinct...
Efficiency of The Carnot Cycle01:16

Efficiency of The Carnot Cycle

The hypothetical Carnot cycle consists of an ideal gas subjected to two isothermal and two adiabatic processes. Since the internal energy of an ideal gas depends only on its temperature, which is the same before and after the completion of the Carnot cycle, there is no change in its internal energy. Hence, using the first law of thermodynamics, the total heat exchanged by the ideal gas equals the total work done. Thus, we can quantify the efficiency of the Carnot cycle via the heat exchanged...
Design Example: Automobile Ignition System01:14

Design Example: Automobile Ignition System

The automobile's ignition system plays a vital role by ensuring the timely ignition of the fuel-air mixture in each cylinder. This ignition is facilitated by a spark plug, which is composed of two electrodes separated by an air gap. A spark forms across this air gap when a substantial voltage is generated between the electrodes, leading to the ignition of the fuel.
One can generate a large voltage using a car battery of 12 volts with the help of inductors. Inductors are known for opposing rapid...
Carnot Cycle and Efficiency01:26

Carnot Cycle and Efficiency

The Second Law of Thermodynamics asserts that it's impossible for any heat engine to achieve 100% efficiency. While contemplating the maximum possible efficiency, Nicolas Sadi Carnot conceptualized an ideal heat engine. This engine gets its energy from a high-temperature reservoir. It then performs some work and releases the remaining energy into a low-temperature reservoir.The Carnot cycle, named after Sadi Carnot, is fully reversible. The cycle consists of four distinct stages. In the first...
Microbial Fuel Cells01:23

Microbial Fuel Cells

Microbial fuel cells (MFCs) are bioelectrochemical devices that generate electricity by exploiting the metabolic processes of electrogenic bacteria. These systems provide a renewable energy source and serve as an innovative method for treating organic waste, such as wastewater.A typical MFC consists of two chambers: an anoxic (oxygen-free) compartment that houses the bacteria and an oxic (oxygen-rich) compartment that contains oxygen as the terminal electron acceptor. Many MFCs use proton...

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相关实验视频

Updated: Jun 14, 2026

Development of a Backbone Cyclic Peptide Library as Potential Antiparasitic Therapeutics Using Microwave Irradiation
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Development of a Backbone Cyclic Peptide Library as Potential Antiparasitic Therapeutics Using Microwave Irradiation

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基于启发式能源的循环设计.

Qiyao Zhu1, Vikram Khipple Mulligan1, Dennis Shasha2

  • 1Center for Computational Biology, Flatiron Institute, New York, NY, U.S.A.

bioRxiv : the preprint server for biology
|July 15, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了CyclicChamp,这是一个高效的计算管道,用于设计新型循环. 这种方法可以设计出更大的循环 (15-24个残留物) 具有增强的稳定性,用于潜在的治疗应用.

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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
  • 酸科学是一种科学.

背景情况:

  • 理性计算设计是新疗法的关键.
  • 中尺度循环提供了诸如刚性和特异性等优点,但其设计具有挑战性.
  • 使用非正规氨基酸的De novo设计是有希望的途径,因为自然循环的数量有限.

研究的目的:

  • 开发一个高效的计算管道,CyclicChamp,用于循环的新设计.
  • 为了使以前难以处理的大型循环 (15-24个残留物) 的构造性采样.
  • 通过计算模拟识别稳定的循环设计.

主要方法:

  • 在循环约束下开发了CyclicChamp管道,包括模拟化,以寻找在循环约束下低能骨干.
  • 解决了越来越大的宏观循环采样形状的计算挑战.
  • 利用微秒长分子动力学和复制交换分子动力学模拟来评估动力学和热力学稳定性.

主要成果:

  • CyclicChamp显著加速了小型宏循环的构造采样,并处理了更大的设计的高维度.
  • 符合性采样对15至24个残留周期变得可处理.
  • 确定了三种15-残留物,一种20-残留物和一种24-残留物循环设计,表现出动力和热力学稳定性.

结论:

  • CyclicChamp 是一种有效的工具,用于设计新型中等尺度循环.
  • 开发的方法扩大了可处理的尺寸范围,用于计算循环设计.
  • 确定了稳定的循环候选者,为未来的治疗开发提供了希望.