By Jörg Hüser (Editor), Raimund Mannhold, Hugo Kubinyi, Gerd Folkers (Series Editors)
Content material: the fundamental rules of GRID / Peter Goodford -- Calculation and alertness of molecular interplay fields / Rebecca C. Wade -- Protein selectivity reviews utilizing GRID-MIFs / Thomas Fox -- FLAP: 4-point pharmacophore fingerprints from GRID / Francesca Perrucio ... [et al.] -- The complexity of molecular interplay: molecular form fingerprints through the PathFinder technique / Iain McLay ... [et al.] -- Alignment-independent descriptors from molecular interplay fields / Manuel Pastor -- 3D-QSAR utilizing the GRID/GOLPE technique / Wolfgang Sippl -- Use of MIF-based VolSurf descriptors in physicochemical and pharmacokinetic reports / Raimund Mannhold ... [et al.] -- Molecular interplay fields in ADME and protection / Giovanni Cianchetta ... [et al.] -- development in ADME prediction utilizing GRID-molecular interplay fields / Ismael Zamora ... [et al.] -- fast ADME filters for lead discovery / Tudor I. Oprea ... [et al.] -- GRID-derived molecular interplay fields for predicting the positioning of metabolism in human cytochromes / Gabriele Cruciani ... [et al.]
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In addition, because of the sophisticated readout technologies, NMR or X-ray crystallography, fragment-based screening can be applied only to targets accessible by these technologies. In summary, fragment screening requires not only a different assay expertise but also different approaches in medicinal chemistry since most of the fragments employed in these tests contain only few or no functionalities to serve as starting material for chemical derivatization. “Conventional” bioassay technologies used in HTS are not capable of resolving low-affinity interactions (>20 M).
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