Plex data structure

Kaijaluoto, S., "Experiences of the Use of Plex Data Structure in Flowsheeting Simulation",... 

For the data of streams and equipment models, ASPEN utilizes a plex data structure of the type proposed by Evans, et al. (3) Information is stored in blocks of contiguous locations known as beads. Beads of any length are created dynamically from a pool of free storage which may be thought of as a lengthy FORTRAN array. The combination of the preprocessor approach and the plex data structure has resulted in the absence of dimensional constraints on the system. There are no maximum numbers of streams, components, models, stages in a column, etc. except as limited by the total memory available. 

The Protein Data Bank PDB ID 1A71 Colby T D Bahnson B J Chin J K Klinman J P Goldstein B M Active Site Modifications m a Double Mutant of Liver Alcohol Dehydrogenase Structural Studies of Two Enzyme Ligand Com plexes To be published... 

Classification and analysis of crystallographic and structural data for Sn-com-plexes with heterocyclic ligands 98MI65. 

Extrapolation of the molecular structure of an a-maltohexaose duplex com-plexed with triiodide in single crystals leads to a left-handed, 8-fold, antiparallel double-helix for amylose.90 The pitch of this idealized helix is 18.6 A, so h is only 2.33 A. Although this model is no contender to the fiber data, in terms of biosynthesis, it is doubtful that the native amylose helix favors antiparallel chains. 

Table 1 Available structural and infrared spectroscopic data for (L )Pd (ri plexes -02) com-...

Ab initio and MNDO calculations have been performed on uncom-plexed (H2NLi) models. Structures with n = 1 (103), with n = 2 and 3 (108,165-168), with n = 4 (21,108, 111, 150,168), and with n = 6 (115, 169) have been optimized at various theoretical levels. For the oligomers with n = 2 and 3, the geometries are in excellent agreement with the experimental X-ray and electron diffraction data (Section III,B,1 Table VI). All calculations show the (NLi)n rings with H atoms perpendicular to the ring plane (Fig. 30a and c) to be preferred to the forms with all atoms in the same plane (Fig. 30b and d). 

The elucidation of the spatial structures of ionophores and their ion complexes is essential for understanding the detailed mechanisms of their biological action. From this point of view, the nature of the conformational rearrangements accompanying complex formation is of special interest, because these very conformational changes contribute considerably to ion binding selectivity. For that reason, this review will focus on comparisons between ligand conformations in both the com-plexed and the uncomplexed state whenever data on both are available. 

Guanine octets are more complex stractural elements of quadruplex systems than the quartets. G-octet is the system of two stacked G-quartets interacting via the 71- 7i-stacking mechanism. This molecular assembly is closer to natural G-qrradru-plexes which usually contain three or four guanine quartets, thus its modelling is able to provide more realistic structural and thermodynamic data to be extrapolated to quadruplex DNA. At the same time, G-octet molecular system is twice as large... 

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