Symmetry, near-symmetry and energetics

Is there a connection between symmetry and energetics? Surveys of over 300000 local minima from nine different model systems reveal some correlation between the degree of symmetry and the mean energy. However, both theory and calculation suggest that the variance may be more important. Systems with higher symmetry, defined in terms of the spectrum of contributions to the total energy, are more likely to exhibit particularly low and high energy minima. This change in viewpoint may be sufficient to account for the widespread appearance of high symmetry. q 1998 Elsevier Science B.V.

[1]  Shmuel Peleg,et al.  Continuous symmetry measures , 1992 .

[2]  P. Morse Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels , 1929 .

[3]  D'arcy W. Thompson On growth and form i , 1943 .

[4]  A. F. Wells The third dimension in chemistry , 1956 .

[5]  D. Wales,et al.  How the range of pair interactions governs features of multidimensional potentials , 1990 .

[6]  Bohr,et al.  Magic Numbers in Protein Structures. , 1996, Physical review letters.

[7]  Oscar W. Richards On Growth and Form. Sir D'Arcy Wentworth Thompson. Abridged by John Tyler Bonner. Cambridge University Press, New York, 1961. xiv + 364 pp. Illus. $5.95 , 1962 .

[8]  Ken A. Dill,et al.  Symmetries in proteins: A knot theory approach , 1996 .

[9]  A. Ceulemans,et al.  The Epikernel Principle , 1989 .

[10]  P. Wolynes,et al.  Symmetry and the energy landscapes of biomolecules. , 1996, Proceedings of the National Academy of Sciences of the United States of America.

[11]  P. Curie Oeuvres de Pierre Curie , 1967 .

[12]  K Yue,et al.  Forces of tertiary structural organization in globular proteins. , 1995, Proceedings of the National Academy of Sciences of the United States of America.

[13]  R. Fuller,et al.  Synergetics: Explorations in the Geometry of Thinking , 1975 .

[14]  D. Wales Balanced geometrics and structural trends in covalent, ionic, and van der Waals clusters , 1990 .

[15]  D. Thirumalai,et al.  Metastability of the folded states of globular proteins. , 1990, Proceedings of the National Academy of Sciences of the United States of America.

[16]  F. Crick,et al.  Structure of Small Viruses , 1956, Nature.

[17]  Symmetry and native structure in lattice proteins , 1996 .

[18]  J. Onuchic,et al.  Symmetry and Kinetic Optimization of Proteinlike Heteropolymers , 1997 .

[19]  Janet E. Jones,et al.  On the Calculation of Certain Crystal Potential Constants, and on the Cubic Crystal of Least Potential Energy , 1925 .

[20]  Robert Jan. Williams,et al.  The Geometrical Foundation of Natural Structure: A Source Book of Design , 1979 .

[21]  A. Sutton,et al.  Long-range Finnis–Sinclair potentials , 1990 .

[22]  W. L. Jorgensen,et al.  Comparison of simple potential functions for simulating liquid water , 1983 .

[23]  N. Wingreen,et al.  Emergence of Preferred Structures in a Simple Model of Protein Folding , 1996, Science.

[24]  John Leech,et al.  Equilibrium of Sets of Particles on a Sphere , 1957, The Mathematical Gazette.

[25]  Pw Fowler,et al.  σ, π and δ representations of the molecular point groups , 1986 .