Journal
/
/
알파 아미노산으로 입증 된 전산 화학 라이브러리의 큐레이션
JoVE Journal
Chemistry
This content is Free Access.
JoVE Journal Chemistry
Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
DOI:

08:21 min

April 13, 2022

,

Chapters

  • 00:04Introduction
  • 00:49Software and File Downloads
  • 01:42Structure Generation Using MAYGEN
  • 02:11Filter Compounds with Undesired Substructures
  • 03:31Additional Structure Modifications and Descriptor Generation
  • 05:22Results: Chemical Space of All Filtered Amino Acid Libraries, Mean van der Waals Volumes and Mean XLogP Values of Libraries with and without Sulfur, and Effects of a Trivalent Pseudoatom on MAYGEN Structure Generation
  • 07:22Conclusion

Summary

Automatic Translation

이 프로토콜의 목적은 오픈 소스 소프트웨어를 사용하여 소분자 구조 라이브러리를 효율적으로 생성하고 큐레이트하는 것입니다.

Related Videos

Read Article