Androsterone. The structure by force-field calculations

Steroids. 1975 Oct;26(4):398-406. doi: 10.1016/0039-128x(75)90061-6.

Abstract

The structure of androsterone was calculated by the force-field (molecular mechanics) method. Plots of the calculated structure are compared with those of the X-ray structure, and found to have all of the atoms in the same positions to within 0.1 A. The regular Dreiding model structure differs substantially from these calculated and experimental structures, atomic positions being up to 0.9 A removed from where they should be.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Androsterone*
  • Evaluation Studies as Topic
  • Models, Molecular
  • Protein Conformation
  • X-Ray Diffraction / methods

Substances

  • Androsterone