Computational analysis of aspirin

Larisa E. Alkhimova,Maria G. Babashkina,Damir A. Safin

Journal of Molecular Structure（2022）

引用 18|浏览6

暂无评分

摘要

•We report computational studies of phase/form I of aspirin.•Crystal structure of phase/form I of aspirin was studied by the hirshfeld surface analysis.•DFT calculations were performed to verify the structure of phase/form I of aspirin.•Molecular docking was used to probe aspirin on the SARS-CoV-2 proteins.

查看译文

关键词

Aspirin,Crystal structure,Hirshfeld surface analysis,Computational study,DFT,Molecular docking

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要