The coupling of conformation to activity and reactivity is a widely accepted concept, and as
such has driven the development of tools which execute conformational searches in rapid …

This chapter contains sections titled: Introduction Systematic Search Methods Model
Building Approaches and Symbolic Representations of Conformation Random Search …

An internal coordinate, random-search method for finding the low-energy conformations of
organic molecules is described. The search is biased toward the low-energy regions of …

A common requirement in conformational analysis is the identification of a molecule's lowest
energy conformations. The application of the A* algorithm to this problem is examined. The …

Several methods are available in the literature for the conformational analysis of small
molecules. Each of these methods has some advantages and some disadvantages. Also …

The recently reported geometrical algorithm to search the conformational space (GASCOS)
scans conformational space exhaustively using an internal coordinate tree search. Using …

In a continuing effort to provide the computational community with a reference work
comparing all of the available conformer searching methods, we have exposed the standard …

An important area of research in computational biochemistry is the design of molecules for
specific applications. The design of these molecules, which depends on the accurate …

We present two sets of tunings that are broadly applicable to conformer searches of isolated
molecules using a genetic algorithm (GA). In order to find the most efficient tunings for the …

A program which utilizes the techniques of Artificial Intelligence and Expert Systems to solve
problems in the area of Conformational Analysis is described. The program searches …