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Machine learning-guided design of a supramolecular armor for stable and functional perovskite quantum dots

Xiang He1, Chuan Xiong1, Mingjun Wang1

  • 1College of Chemistry and Chemical Engineering, Chongqing University, Chongqing, P. R. China. shayuli@cqu.edu.cn.

Chemical Communications (Cambridge, England)
|September 8, 2025
PubMed
Abstract

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Conserved Binding Sites01:49

Conserved Binding Sites

Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally analyses the...