Issue 1, 1994

Comparison of complete conformational searching and the energy-optimized tree branch method in molecular mechanics calculations

Abstract

An efficient method, the energy-optimized tree branch method to obtain the global, energy-minimized, molecular structure for a molecule by molecular modelling, is described.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1994,90, 47-54

Comparison of complete conformational searching and the energy-optimized tree branch method in molecular mechanics calculations

F. Villamagna and M. A. Whitehead, J. Chem. Soc., Faraday Trans., 1994, 90, 47 DOI: 10.1039/FT9949000047

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