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Quantum Numbers02:43

Quantum Numbers

50.8K
It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
50.8K
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

58.1K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
58.1K
Virtual Work01:20

Virtual Work

1.4K
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...
1.4K
Machines01:19

Machines

579
Machines are complex structures consisting of movable, pin-connected multi-force members that work together to transmit forces. One example of a machine is the cutting plier, which is used to cut wires by applying forces to its handles. When equal and opposite forces are exerted on the handles of the cutting plier, they cause the cutting edges to come together and apply equal and opposite reaction forces on the wire, which are greater than the applied forces.
A free-body diagram of the...
579
Structural Protein Function01:56

Structural Protein Function

30.0K
Structural proteins are a category of proteins responsible for functions ranging from cell shape and movement to providing support to major structures such as bones, cartilage, hair, and muscles. This group includes proteins such as collagen, actin, myosin, and keratin.
Collagen, the most abundant protein in mammals, is found throughout the body. In connective tissue, such as skin, ligaments, and tendons, it provides tensile strength and elasticity.  In bones and teeth, it mineralizes to...
30.0K
GIS Software, Hardware, and Sources of GIS Data01:23

GIS Software, Hardware, and Sources of GIS Data

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A Geographic Information System (GIS) combines specialized software and hardware to effectively manage, analyze, and present spatial and related data. GIS software includes critical functionalities such as a user interface for easy navigation, database management tools for handling spatial and attribute data, and data retrieval features for efficient access. Analytical tools transform raw data into insights, while display functions produce maps and reports in various formats for effective...
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Constructing and Visualizing Models using Mime-based Machine-learning Framework
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構造ベース仮想スクリーニングのためのハードウェア実装可能な量子機械学習フレームワーク

Pei-Kun Yang1

  • 1Department of Biomedical Engineering, College of Medicine, I-Shou University, Kaohsiung, Taiwan 82445, Republic of China.

Journal of chemical theory and computation
|February 4, 2026
PubMed
まとめ
この要約は機械生成です。

量子機械学習は、分子データを量子状態にエンコードすることにより、仮想スクリーニングを加速します。このアプローチは、短期的な量子ハードウェアの制限があっても、タンパク質-リガンド結合エネルギーを予測するための実用的でスケーラブルなソリューションを提供します。

キーワード:
量子機械学習仮想スクリーニング創薬量子コンピューティングタンパク質-リガンド結合

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