Crystal structure prediction for eniluracil

Journal of Pharmaceutical Sciences

Volumn 90, Issue 8, 2001, Pages 1049-1055

  Sacchetti, Mark ^a   Varlashkin, Peter G ^a   Long, Stacey T ^a   Lancaster, Robert W ^b  

^a GLAXOSMITHKLINE   (United States)

^b GLAXOSMITHKLINE   (United Kingdom)

Author keywords

Crystal structure; Eniluracil; Molecular modeling; Polymorph prediction; X ray diffraction

Indexed keywords

5 ETHYNYLURACIL;

ALGORITHM; ARTICLE; CRYSTAL STRUCTURE; CRYSTALLIZATION; DRUG STRUCTURE; ENERGY; MATHEMATICAL ANALYSIS; MOLECULAR MODEL; PREDICTION; RAMAN SPECTROMETRY; SIMULATION; STRUCTURE ANALYSIS; X RAY DIFFRACTION;

EID: 0034882802     PISSN: 00223549     EISSN: None     Source Type: Journal    
DOI: 10.1002/jps.1058     Document Type: Article

References (6)

1. Crystal structure determination from powder diffraction data by Monte Carlo methods
2. PowderSolve-A complete package for crystal structure solution from powder diffraction patterns
3. Ab initio prediction of possible crystal structures for general organic molecules
4. Computer simulation to predict possible crystal polymorphs
5. Dreiding: A general force field for molecular simulations
6. Charge equilibration for molecular dynamics simulations