Dixon algorithm

C M, 1D Kuntz and J S Dixon 1995. Flexible Ligand Docking Using a Genetic Algorithm. Journal Zomputer-Aided Molecular Design 9 113-130. 

Feature trees have been described by Rarey and Dixon [106] as a new way of analyzing the similarity of molecules. This approach is based on building trees that represent molecules. These trees describe the major building blocks of molecules, in addition to their overall arrangement. They are conformation independent. Different types of pairwise comparison algorithms are available to compare trees of different molecules. 

Dixon, L.C.W., "Quasi-Newton Algorithms Generate Identical Points. Math. Programming, 1972, 2 (3), 383-387. 

L. C. W. Dixon, SIAM J. Opt., 1,475 (1991). On the Impact of Automatic Differentiation on the Relative Performance of Parallel Truncated Newton and Variable Metric Algorithms. 

Oshiro, C.M., Kuntz, I.D. and Dixon, J.S. Flexible ligand docking using a genetic algorithm. / Comput.-Aided Mol. Des., 1995,9, 113-30. 

It will be shown that the restriction above allows one to consider the linear response of a phase variable coupled to nearly all the NEMD algorithms in the literature to date. The one known exception is the thermal conductivity algorithm due to Gillan and Dixon. Thus, the present formulation will provide a template for the computation of the linear response of any phase variable coupled to an external field of the form given by Eqs. [91] under the conditions specified by Eq. [94]. 

C. M. Oshiro, I. D. Kuntz, and J. S. Dixon. Flexible ligand docking using a genetic algorithm. Journal of Computer-Aided Molecular Design, 9 113-130, 1995. 

Evaluate the cycle decomposition of the permutation 0 induced by on X which gives the orbits of ( ) on X. Construct a y e 7 that is constant on these orbits and takes values y 7 on these orbits which are distributed uniformly at random over 7. The Dixon-Wilf algorithm shows that this y 7 is distributed uniformly over the symmetry classes of G. 

Peishoff, C.E., Dixon, J.S. and Kopple, K.D. (1990) Application of the Distance Geometry Algorithm to Cyclic Oligopeptide Conformation Searches, Biopolymers, 30, 45-56. 

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