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Flexible fitting

When less protection is required, it can be provided by a face shield either attached to a hard hat or held in position by a head harness that allows the shield to be tipped back when not in use. Flexible fitting chemical goggles with hooded ventilation can be used for direct protection of the eyes. [Pg.147]

Fig. 12 The 2Fob-Fcak omit map used in the automated query. The 2Fobs-Fca c omit map calculated with all reflections to 2.88 A using CNS, map was phased from five shaken high temperature annealed protein models also run at 2.88 A. This omit map exhibits a similar spatial distribution and total volume by comparison with the map in Fig. 11a, but it possesses a single contiguous volume suitable for automated fitting of conformational databases as described in the text. X-ligand was used to locate maximum unoccupied volume of density (highlighted in gold) and to flexibly fit epothilone rotamers from the conformational database. Only two orientations of ligand, as depicted above, were found to satisfy the density shape... Fig. 12 The 2Fob-Fcak omit map used in the automated query. The 2Fobs-Fca c omit map calculated with all reflections to 2.88 A using CNS, map was phased from five shaken high temperature annealed protein models also run at 2.88 A. This omit map exhibits a similar spatial distribution and total volume by comparison with the map in Fig. 11a, but it possesses a single contiguous volume suitable for automated fitting of conformational databases as described in the text. X-ligand was used to locate maximum unoccupied volume of density (highlighted in gold) and to flexibly fit epothilone rotamers from the conformational database. Only two orientations of ligand, as depicted above, were found to satisfy the density shape...
The molecular weight distribution of the polymer can have a dramatic effect on rates of depolymerisation. This effect has been demonstrated for a number of polymers, where a critical lower limit must be present before the process will start. The molecular origin for this effect is still subject to speculation, and has been attributed to a range of causes such as changes in enzyme accessibility, chain flexibility, fits with active sites, crystallinity or other aspects of morphology. [Pg.14]

As compared to a parallel combination of a resistor and capacitor, the CPE is able to provide a much better fit to most impedamce data. The CPE can achieve this fit using only three parameters, which is only one parameter more than a typical RC couple. Some investigators allow a to take values from —1 to 1, thus treating the CPE as an extremely flexible fitting element. For a = 1, the CPE behaves as a capacitor for a = 0, the CPE behaves as a resistor and for a = —1 the CPE behaves eis an inductor (see Section 4.1.1). [Pg.236]

Burt, C and Richards, W.G. (1990a). Molecular Similarity The Introduction of Flexible Fitting. J.Comput.Aid.Molec.Des., 4,231-238. [Pg.545]

Montanari, C.A., Tlite, M.S., Beezer, A.E. and Mitchell, J.C. (1996). Determination of Receptor-Bound Drug Conformations by QSAR Using Flexible Fitting to Derive a Molecular Similarity Index. J.Comput.Aid.Molec.Des., 10, 67-73. [Pg.619]

Neither the drug nor its binding site are completely rigid systems a flexible fit occurs during the binding of the drug. [Pg.181]

The hydrogen bond donor and acceptor-rich polar belt at the mid-line of the capsule control the exchange of guests in and out of cylindrical capsules 4. A wide variety of guests, both rigid and flexible, fit inside the confines of this cylindrical capsule. [Pg.138]

M VFlex Particulate Respirators 9105 and 91058, N95. The unique design and flexible fit provides a comfortable seal, flexes with your mouth movement and keeps filter media away from your mouth. This product is available in two sizes to fit a broad range of faces. 3M, www.3M.comA/Rex. WOC Booth 0H212S... [Pg.63]

Trabuco, L. G., Villa, E., Schreiner, E., Harrison, C. B., 8c Schulten, K. (2009). Molecular dynamics flexible fitting A practical guide to combine cryo-electron microscopy and X-ray crystallography. Methods, 49,174. [Pg.1152]


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See also in sourсe #XX -- [ Pg.491 ]

See also in sourсe #XX -- [ Pg.491 ]

See also in sourсe #XX -- [ Pg.82 , Pg.216 ]




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