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导航一个1E+60化学空间的/类寡合体

Markus Orsi1, Jean-Louis Reymond1

  • 1Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, 3012, Bern, Switzerland.

Molecular informatics
|October 11, 2024
PubMed
概括

研究人员使用和类构建块创建了一个庞大的虚拟图书馆,包含超过1E+60种类似药物的分子. 体设计遗传算法 (PDGA) 有效地探索这种化学空间,以发现新药类型.

关键词:
化学空间 化学空间化学信息学 化学信息学遗传算法是一种遗传算法.治疗性类的治疗性类.

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Peptide Bonds02:43

Peptide Bonds

A peptide bond covalently attaches amino acids through a dehydration reaction. One amino acid's carboxyl group and another amino acid's amino group combine, releasing a water molecule. The resulting bond is the peptide bond. The products that such linkages form are peptides. As more amino acids join this growing chain, the resulting chain is a polypeptide. Each polypeptide has a free amino group at one end. This end has the N-terminal, or the amino-terminal, and the other end has a free...