Search results

Search for "molecular mechanics" in Full Text gives 51 result(s) in Beilstein Journal of Organic Chemistry.

[3.3]Dithia-bridged cyclophanes featuring a thienothiophene ring: synthesis, structures and conformational analysis

  • Sabir H. Mashraqui,
  • Yogesh Sanghvikar,
  • Shailesh Ghadhigaonkar,
  • Sukeerthi Kumar,
  • Auke Meetsma and
  • Elise Trân Huu Dâu

Beilstein J. Org. Chem. 2009, 5, No. 74, doi:10.3762/bjoc.5.74

Graphical Abstract
  • former slightly displaced from the center of the latter. In order to evaluate the energy minimized conformations for 11, we performed the conformational analysis by random search Monte Carlo method [33] and optimized by PRCG Conjugated Gradient molecular mechanics minimization using the Macromodel
PDF
Album
Full Research Paper
Published 08 Dec 2009
Other Beilstein-Institut Open Science Activities