Molecule design

Another method has also been suggested for tethering [23]. This would require all the molecules designated as the membrane molecules to be tethered to some or all of their neighbors, that are also part of the membrane. Fig. 1 shows the typical structure of a semi-permeable membrane while Fig. 2 shows a typical MD simulation system for osmosis with each membrane one molecular layer thick. In addition, as can be seen from Fig. 2, it is not necessary for the simulation system to be a cube. In fact it is desirable for... 

The first component of complement is Cl. This is a complex of three molecules designated Clq, Clr and Cls. The classical pathway is only initiated by an immune complex (antibody bound to antigen) when Clq binds to the Fc portion of the complexed antibody (IgM or IgG). The binding of Clq activates the Clr and Cls molecules associated with it to yield activated Cl which now cleaves C4 and then C2 (subunits of... 

Fig. 3 The SAR by NMR approach. Example of a small bidentate molecule designed using this approach. The example shown is for the design of a potent inhibitors of the matrix metalloproteinase MMP3. (a) Docked structures of the identified fragment leads are shown with cyan carbons, whereas the linked compound is shown with green carbon atoms. All structures were experimentally determined by NMR. (b) Chemical structures (and in vitro potencies) of the fragment leads and subsequent high-affinity linked compounds. Adapted from [7]...

Two-Photon Absorption in Near-IR Conjugated Molecules Design Strategy and Structure-Property Relations... 

The most useful form of liposomes for bioconjugate applications consists of small, spherical ULVs that possess layers of hydrophilic head groups on their inner and outer surfaces. The inside of each vesicle can contain hydrophilic molecules that are protected from the outer environment by the lipid shell. The outside surface can be derivatized to contain covalently attached molecules designed to target the liposome for specific interactions. 

A three-sided molecule, designed to control the current pathway within it by judicious choice of three moieties with different electron affinities and/or ionization potentials, when covalently bonded to three metal electrodes 3 nm apart, could be the unimolecular equivalent of a BJT. 

Computer Aided Material Preselection by Uniform Standards (CAMPUS), 19 793 Computer-aided molecule design (CAMD), 7 479, 509 26 999... 

Przhonska OV, Webster S, Padilha LA et al (2010) Two-photon absorption in near-IR conjugated molecules design strategy and structure-property relations. In Demchenko AP (ed) Advanced fluorescence reporters in chemistry and biology. I. Springer Ser Fluoresc 8 105-147... 

As part of an ongoing research programme aimed at the construction of redox-active calixarene-based host molecules designed to sense neutral... 

We recently prepared a series of restricted distance porphyrin-quinone donor-acceptor molecules designed to study the dependence of the rate of electron transfer proceeding from the lowest excited singlet state of the porphyrin on the free energy of reaction.(3-4) We now report measurement... 

The molecular structure of water was not known in Grotthuss time, and he proposed that water molecules, designated as -+, were arranged between the positive (p) and negative (n) electrodes in the following manner p —h - H— + —h n. (J. R. Partington (1964) A History of Chemistry, vol. 4, pp. 26-27, Macmillan, London.)... 

A molecule designed to mimic the properties, structure, and/or geometries of the transition state of a particular reaction. Such compounds are often potent inhibitors of enzymes. See Molecular Similarity... 

Soon thereafter, chirality was recognized as a necessary and indispensible part of synthetic receptor molecule design and function. Predictably, not only has nature s chiral pool been called upon to supply inexpensive and readily available sources of chirality, but the ability of the chemist to resolve optically active precursors from racemic modifications prepared in the laboratory has been exploited ingeniously in a number of different directions. The various elements of chirality centers, axes, planes, as well as helices, have been incorporated into both axially symmetric and asymmetric receptors. 

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