@article {1260,
	title = {Nematic fluid structure in wall-field geometry},
	journal = {Journal of Chemical Physics},
	volume = {122},
	number = {3},
	year = {2005},
	note = {ISI Document Delivery No.: 893VPTimes Cited: 6Cited Reference Count: 31},
	month = {Jan},
	pages = {9},
	type = {Article},
	abstract = {We describe an integral equation method for obtaining the distribution of a nematic fluid near a wall and interacting with a uniform orienting field. Complete density-orientational profiles are calculated for a model nematic with different wall-particle interactions and different orientations of the wall with respect to the field. For orienting walls we identify particular long-range correlations that are responsible for reorientation of the bulk nematic at zero external field. These correlations become stronger as the wall-particle interaction is increased in range; they become longer ranged as the orienting field is weakened. Special attention is focused on systems where the wall-particle interaction favors orientations perpendicular to the surface. The local director orientation can vary discontinuously with the distance from the surface when the orienting influences of the field and the wall are antagonistic. At high densities smectic-like structures appear. Adsorption phenomena are also discussed. For inert hard walls, the ordered fluid avoids the surface, and a surface layer where the particles tend to orient perpendicular to the bulk director appears. Experimentally, this might be seen as wetting of the wall by a less-ordered fluid. (C) 2005 American Institute of Physics.},
	keywords = {ALIGNMENT, APPROXIMATION, LIQUID-CRYSTALS, MODEL, ORNSTEIN-ZERNIKE EQUATION, PHASE-TRANSITION, SOLID SUBSTRATE, SUBSTRATE INTERFACE, SURFACE},
	isbn = {0021-9606},
	url = {<Go to ISI>://000226748800030},
	author = {Sokolovska, T. G. and Sokolovskii, R. O. and Patey, G. N.}
}
@article {1283,
	title = {Nonequilibrium distribution functions for general rigid bodies in axially symmetric environments},
	journal = {Physical Review A},
	volume = {72},
	number = {3},
	year = {2005},
	note = {ISI Document Delivery No.: 969IRTimes Cited: 0Cited Reference Count: 20},
	month = {Sep},
	pages = {10},
	type = {Article},
	abstract = {A vector rho is introduced in such a manner that the equilibrium rotational distribution function for a general rigid body has a simple quadratic form both from a body-fixed and space-fixed frame of reference. It is shown that when considering nonequilibrium distribution functions, representations employing the components of rho generalize more easily than those employing the components of the angular momentum or angular velocity, and lead to forms with greater accuracy. The behavior of rho and its relation to the angular momentum of the system is explored in some detail. Comparisons are made with distribution functions generated from molecular dynamics simulations of H2O+ drifting in a helium bath gas under the influence of a uniform electric field.},
	keywords = {ALIGNMENT, COLLISION CROSS-SECTIONS, HELIUM, IONS, MOBILITIES, MOLECULAR-DYNAMICS, POTENTIAL-ENERGY SURFACES, ROTATIONAL, SCATTERING, SUPERSONIC EXPANSIONS, VELOCITY},
	isbn = {1050-2947},
	url = {<Go to ISI>://000232228300102},
	author = {Thachuk, M.}
}
@article {5123,
	title = {Letter to the Editor: NMR-based structure of the conserved protein MTH865 from the Archaeon Methanobacterium thermoautotrophicum},
	journal = {Journal of Biomolecular Nmr},
	volume = {21},
	number = {1},
	year = {2001},
	note = {ISI Document Delivery No.: 475DETimes Cited: 1Cited Reference Count: 15},
	month = {Sep},
	pages = {63-66},
	type = {Article},
	keywords = {ALIGNMENT, DOMAIN, helical bundle, HETERONUCLEAR NMR, Methanobacterium, NOES, structural proteomics, thermoautotrophicum},
	isbn = {0925-2738},
	url = {<Go to ISI>://000171145900006},
	author = {Lee, G. M. and Edwards, A. M. and Arrowsmith, C. H. and McIntosh, L. P.}
}
@article {4751,
	title = {The first structure of UDP-glucose dehydrogenase reveals the catalytic residues necessary for the two-fold oxidation},
	journal = {Biochemistry},
	volume = {39},
	number = {23},
	year = {2000},
	note = {ISI Document Delivery No.: 324PRTimes Cited: 62Cited Reference Count: 49},
	month = {Jun},
	pages = {7012-7023},
	type = {Article},
	abstract = {Bacterial UDP-glucose dehydrogenase (UDPGlcDH) is essential for formation of the antiphagocytic capsule that protects many virulent bacteria such as Streptococcus pyrogenes and Streptococcus pneumoniae type 3 from the host{\textquoteright}s immune system. We have determined the X-ray structures of both native and Cys260Ser UDPGlcDH from S. pyogenes (74\% similarity to S. pneumoniae) in ternary complexes with UDP-xylose/NAD(+) and UDP-glucuronic acid/NAD(H), respectively. The 402 residue homodimeric UDPGlcDH is composed of an N-terminal NAD(+) dinucleotide binding domain and a C-terminal UDP-sugar binding domain connected by a long (48 Angstrom) central alpha-helix. The first 290 residues of UDPGlcDH share structural homology with 6-phosphogluconate dehydrogenase, including conservation of an active site lysine and asparagine that are implicated in the enzyme mechanism. Also proposed to participate in the catalytic mechanism are a threonine and a glutamate that hydrogen bond to a conserved active site water molecule suitably positioned for general acid/base catalysis.},
	keywords = {alanine, ALIGNMENT, CRYSTAL-STRUCTURE, ESCHERICHIA-COLI, GROUP-A STREPTOCOCCI, INSIGHTS, MECHANISM, MOLECULAR CHARACTERIZATION, REDUCTASE, SUBSTRATE-BINDING},
	isbn = {0006-2960},
	url = {<Go to ISI>://000087631000031},
	author = {Campbell, R. E. and Mosimann, S. C. and van de Rijn, I. and Tanner, M. E. and Strynadka, N. C. J.}
}
@article {4817,
	title = {A semiclassical study of the photodissociation dynamics of a coupled two-surface model of HCl+ by an intense laser field in the long-wavelength limit},
	journal = {Journal of Chemical Physics},
	volume = {113},
	number = {6},
	year = {2000},
	note = {ISI Document Delivery No.: 344XTTimes Cited: 7Cited Reference Count: 39},
	month = {Aug},
	pages = {2124-2133},
	type = {Article},
	abstract = {The photodissociation of HCl+ on two coupled potential surfaces is studied in the long wavelength regime with a semiclassical method employing classical trajectories and a hopping algorithm. Dissociation probabilities, product kinetic energy distributions, and branching ratios are presented. In addition, two mechanisms are introduced to explain trends in these properties. One mechanism produces large product kinetic energies and is an extension to two-coupled surfaces of the "wagging tail" mechanism seen in a previous one-surface study [M. Thachuk and D. M. Wardlaw, J. Chem. Phys. 102, 7462 (1995)]. The other mechanism is an extended barrier-suppression mechanism and accounts for the bulk of the product kinetic energy distribution, and in particular rationalizes the low energy part of these distributions as well as the branching ratios. It is shown that most of the trajectories undergo at most one nontrivial hop before dissociating so that the dynamics is dominated by the motion near the barrier to dissociation. This provides a simple, intuitive model for understanding the overall dynamics. (C) 2000 American Institute of Physics. [S0021-9606(00)00130-6].},
	keywords = {ABOVE-THRESHOLD-DISSOCIATION, ALIGNMENT, COHERENT CONTROL, COULOMB EXPLOSION, H-2(+), HARMONIC-GENERATION, MOLECULAR-IONS, NM, ORDER, RESONANCE-ENHANCED IONIZATION, TRANSITIONS},
	isbn = {0021-9606},
	url = {<Go to ISI>://000088786900011},
	author = {Gill, R. and Yanagawa, R. and Thachuk, M.}
}
@article {4772,
	title = {Structural proteomics of an archaeon},
	journal = {Nature Structural Biology},
	volume = {7},
	number = {10},
	year = {2000},
	note = {ISI Document Delivery No.: 362LRTimes Cited: 188Cited Reference Count: 29},
	month = {Oct},
	pages = {903-909},
	type = {Article},
	abstract = {A set of 424 nonmembrane proteins from Methanobacterium thermoautotrophicum were cloned, expressed and purified for structural studies. Of these, similar to 20\% were found to be suitable candidates for X-ray crystallographic or NMR spectroscopic analysis without further optimization of conditions, providing an estimate of the number of the most accessible structural targets in the proteome. A retrospective analysis of the experimental behavior of these proteins suggested some simple relations between sequence and solubility. implying that data bases of protein properties will be useful in optimizing high throughput strategies. Of the first 10 structures determined, several provided clues to biochemical functions that were not detectable from sequence analysis, and in many cases these putative functions could be readily confirmed by biochemical methods. This demonstrates that structural proteomics is feasible and can play a central role in functional genomics},
	keywords = {ALIGNMENT, CLASSIFICATION, GENE, genomics, PREDICTION, PROTEIN-STRUCTURE, SCOP},
	isbn = {1072-8368},
	url = {<Go to ISI>://000089779900022},
	author = {Christendat, D. and Yee, A. and Dharamsi, A. and Kluger, Y. and Savchenko, A. and Cort, J. R. and Booth, V. and Mackereth, C. D. and Saridakis, V. and Ekiel, I. and Kozlov, G. and Maxwell, K. L. and Wu, N. and McIntosh, L. P. and Gehring, K. and Kennedy, M. A. and Davidson, A. R. and Pai, E. F. and Gerstein, M. and Edwards, A. M. and Arrowsmith, C. H.}
}
