An analytic ring closure condition for geometrical algorithm to search the conformational space

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

Natural Sciences, Chemistry, Physics +10

The multiple minimum problem in molecular modeling. Tree searching internal coordinate conformational space

Mark A. Lipton, W. Clark Still · Journal of Computational Chemistry · 1988 · 207 citations

Natural Sciences, Chemistry, Computational Chemistry +12

Searching for conformers of nine‐ to twelve‐ring hydrocarbons on the MM2 and MM3 energy surfaces: Stochastic search for interconversion pathways

Martin Saunders · Journal of Computational Chemistry · 1991 · 80 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Molecular mechanics conformational analysis of cyclononane using the RIPS method and comparison with quantum‐mechanical calculations

David M. Ferguson, William A. Glauser, Douglas J. Raber · Journal of Computational Chemistry · 1989 · 38 citations

Natural Sciences, Biophysics, Chemistry +17

A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules

L.N. Santagata, Fernando D. Suvire, Ricardo D. Enriz et al. · Journal of Molecular Structure THEOCHEM · 1999 · 21 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +12