Brooks data structure

Brooks achieves a representation of classes of objects by an unusual data structure we will call this a "Brooks Data Structure" — BDS. We can adapt the BDS to a LISP-coded specification of a macromolecule as follows the macromolecule is to be described by a TREE, the ROOT of which is the coarsest characterization of the molecule. For a macrocycle, the ROOT would be the great ring for a branched chain it would be the longest backbone. This ROOT would be a list, the basic data structure of LISP, with each element in the list a data set defining a generalized cylinder. 

Valschnav, D. "Biochemical oxygen demand data base" Call, D.J. Brooke, L.T. Valschnav, D. AQUATIC POLLUTANT HAZARD ASSESSMENT AND DEVELOPMENT OF HAZARD PREDICTION TECHNOLOGY BY QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS. University of Wisconsin, Superior research project report (CR809234) 1984. 

The Protein Data Bank (PDB) is the collection of publicly available structures of proteins, nucleic acids, and other biological macromolecules initiated by Brook-haven National Laboratory and now maintained by the Research Collaboratory for Structural Bioinformatics (RCSB) at http //www.rcsb.org/pdb/ (Berman et al., 2000). The PDB coordinates of biomacromolecules can be classified into the following ... 

Roche O, Kiyama R, Brooks CL III. Ligand-protein database linking protein-ligand complex structures to binding data. J Med Chem 2001 44 3592-3598. 

The C15 structure is preserved and the lattice parameter exhibits a minimum for x = 0.5 (Brook et al 1954). Both Tc and jas are reduced even more rapidly with increasing x than in the previous system (fig. 3.16a,b). The critical concentration occurs near x = 0.2 (Hilscher and Sechovsky 1981, Burzo and Valeanu 1984a). The X versus T data can be fitted by a MCW law. The values of /xeff decrease slower with increasing x than fis. For lower Fe concentrations (jc > xc) we can find a weakly temperature-dependent paramagnetism with X300K values between 1.0 X 10 8 and 1.3 X 10-8 m3/mol (Sechovsky 1980, Burzo and Valeanu 1983, 1984a). 

Bonneviot L, Clause O, Che M, Manceau A, Dexpert H (1989b) EXAFS characterization of the adsorption sites of nickel ammine and ethyldiamine complexes on a silica surface. Catalysis Today 6 39-46 Bomebusch H, Clausen BS, Steffensen G, Liitzenkirchen-Hecht D, Frahm R (1999) A new approach for QEXAFS data acquisition. J Synchrotron Rad 6 209-211 Bostick BC, Fendorf S, Barnett MO, Jardine PM, Brooks SC (2002) Uranyl surface complexes formed on subsurface media from DOE facilities. Soil Sci Soc Am J (2002) 66 99-108 Bottero JY, Manceau A, Villieras F, Tchoubar D (1994) Structure and mechanisms of formation of iron oxide hydroxide (chloride) polymers. Langmuir 10 316-319 Bourg ACM, Joss S, Schindler PW, (1979) Ternary surface complexes 2. Complex formation in the system silica-Cu(II)-2,2 bipyridyl . Chimia 33 19-21... 

Because of its explosive properties and the fact that the structure [74] is only slightly less symmetric than KN3, AgN3 is a material of considerable interest. However, only limited spectroscopic data have been obtained, as shown in Table VII. Bryant and Brooks [35] suggest specific assignments for all of the observed modes, although no polarization data were obtained for confirmation. 

Roche, O., Kiyama, R., Brooks III, C.L. ligand-protein database Linking protein-Ugand complex structures to binding data. J. Med. Chem. 2001,44,3592-8. 

X-ray studies of stable siienes had been published and much of the information about structure and bonding in siienes came from ab initio molecular orbital calculatious. These data are well summarized in several review articles by Brook and Brook and by Michl and Raabe . The important role which ab initio calculations play in this field is outlined in the comprehensive review by Apeloig and by Kami and Apeloig. We will therefore emphasize in this paragraph the new important findings and we will outline the general trends of structural silene chemistry. Some stmctural data and original references are summarized in Table 12. 

Brooks, Johansson and Skriver (1984) investigated the band structure of UC and ThC by nonrelativistic and relativistic (based on the Dirac formalism) LMTO methods. They analysed the electron density changes in the compounds as compared with free atoms, as well as the influence of pressure on the band structure. Crystal pressures as a function of lattice constants (equations of state) were calculated as well as theoretical values of the lattice constants. The calculated trends in the variations of lattice constants and bulk moduli agree well with the available experimental data. Some of the most important results of these calculations are shown in Figs. 2.20 and 2.21. 

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