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Updated: Jan 27, 2026

Author Spotlight: Enhancement of Salient Object Detection for Smart Grid Applications
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通过同等变量神经网络,为大型有机分子推进密度功能紧固结合方法.

Leonardo Medrano Sandonas1, Mirela Puleva2,3, Zekiye Erarslan1

  • 1Institute for Materials Science and Max Bergmann Center of Biomaterials, TUD Dresden University of Technology, 01062 Dresden, Germany. leonardo.medrano@tu-dresden.de.

Physical chemistry chemical physics : PCCP
|January 26, 2026
PubMed
概括

同等变量神经网络增强了生物分子模拟的半经验量子方法. EquiDTB框架提高了大型分子和非共价相互作用的准确性和可扩展性.

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Protein Networks02:26

Protein Networks

An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
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Overview of Advanced Functional Groups


Functional groups are groups of atoms with specific chemical properties that occur within organic molecules and are sometimes denoted as “R”. Functional groups can “functionalize” a compound by enabling it to adopt different physical and chemical properties.
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The table below summarizes some of the major functional groups in organic chemistry.
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Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
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Frequency response analysis in electrical circuits provides vital insights into a circuit's behavior as the frequency of the input signal changes. The transfer function, a mathematical tool, is instrumental in understanding this behavior. It defines the relationship between phasor output and input and comes in four types: voltage gain, current gain, transfer impedance, and transfer admittance. The critical components of the transfer function are the poles and zeros.
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Oxidation and Reduction of Organic Molecules01:19

Oxidation and Reduction of Organic Molecules

Energy production within a cell involves many coordinated chemical pathways. Most of these pathways are combinations of oxidation and reduction reactions, which occur at the same time. An oxidation reaction strips an electron from an atom in a compound, and the addition of this electron to another compound is a reduction reaction. Because oxidation and reduction usually occur together, these pairs of reactions are called redox reactions.
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Tight junctions are molecular seals between cells that prevent the leaking of fluids, ions, and other small solutes across cavities and compartments in multicellular organisms. They are mainly composed of claudin and occludin transmembrane proteins, and other proteins such as tricellulin and JAM (junctional adhesion molecule). All these proteins are 4-pass transmembrane proteins, except JAM, which is a single-pass transmembrane protein belonging to the immunoglobulin superfamily. The...
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