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The Virial and Molecular Structure
The Journal of Chemical Physics, 1933The virial theorem can be applied to a molecule, assuming that external forces are applied to keep the nuclei fixed. The mean electronic kinetic energy is then the negative of the mean total internal energy, plus a term arising from the virial of the external force.
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Wavelets and molecular structure
Journal of Computer-Aided Molecular Design, 1996The wavelet method offers possibilities for display, editing, and topological comparison of proteins at a user-specified level of detail. Wavelets are a mathematical tool that first found application in signal processing. The multiresolution analysis of a signal via wavelets provides a hierarchical series of "best' lower-resolution approximations.
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On the Molecular Structure of Collagen
Nature, 1969Several polytripeptide and polyhexapeptide models of collagen have the same triple helical conformation with one NH…O interchain H bond per tripeptide. Collagen itself probably has this structure.
W, Traub, A, Yonath, D M, Segal
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Inference of molecular structure
Proceedings of the 1974 annual conference on XX - ACM '74, 1974The Heuristic DENDRAL Program focuses on (1) understanding the processes of scientific inference in problems involving the induction of hypotheses from empirical data, and (2) implementation of a heuristic program for solving such problems in a domain of biomedical interest.
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The structure of a molecular motor
Current Biology, 1993Two proteins, actin and myosin, together form a molec- ular motor that produces the work performed by mus- cle tissues, as well as many of the movements seen in all eukaryotic cells. IJntil recently, high resolution struc- tures of these two proteins have not been available.
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Chirality Codes and Molecular Structure
Journal of Chemical Information and Computer Sciences, 2004Some time ago a structure-descriptor, named "chirality code", was put forward [J. Chem. Inf. Comput. Sci. 2001, 41, 369-375], aimed at distinguishing between enantiomers. The chirality code is a sequence of (typically 100) numbers, being equal to the value of a certain "chirality function" at equidistant points within a chosen interval.
João Aires-de-Sousa +3 more
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The Molecular Structure of Glycogens
1957Publisher Summary This chapter discusses the molecular structure of glycogens. Glycogens, from vertebrate, invertebrate, bacterial, and yeast cells, are multiply-branched molecules (molecular weight ∼10 7 ) consisting of chains of α-(1 → 4)-linked D-glucose residues.
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Molecular shapes and molecular structures
Chemical Physics Letters, 1986Abstract The first part is a response to E.B. Wilson's remarks about molecular structure at the 1979 Sanibel Symposium; his proposed extension of the notion of “potential energy surface” is a convention, not a part of fundamental molecular quantum theory.
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Viscosity and Molecular Structure
Annals of the New York Academy of Sciences, 1951Publisher Summary This chapter describes the viscosity of molecules and the structure of molecules. Within the framework of a corresponding states system, the viscosity of liquids can be examined most easily if comparisons are confined to specific regions.
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The relation of microscopic structure to molecular structure
Quarterly Reviews of Biophysics, 1968What I shall try to do in this essay is not to produce a serious, accurate account of the immense amount of work in this field but, rather, to comment in a very general way on some of the new ideas in the advances of molecular biology, on the background of classical biological thought both histological and biochemical.
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