Molecular-level insights into small organic molecule dipyrone crystallization by MD-based strategies
Abstract
Using a MD approach, the crystallization process of complex organic small-molecules was systematically investigated, and corresponding methods for visualization post-processing and interaction energy evaluation were developed.
Fields of Study & Subjects
Crystallization and Solubility Studies
Crystallography and molecular interactions
nanoparticles nucleation surface interactions
Publication details
- Journal / source
- CrystEngComm
- Volume
- 28
- Issue
- 15
- Pages
- 2318–2332
- Publication date
- 1 January 2026
- Language
- EN