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Virtual target-based

Pan, Y., Huang, N., Cho, S. and MacKerell, A.D., Jr (2003) Consideration of molecular weight during compound selection in virtual target-based database screening. J. Chem. Inf. Comput. Sci., 43, ici-m. [Pg.1136]

Virtual target-based screening in combinatorial library design enhancing in-vitro and in-vivo hit rates (S. Lindell, Bayer CropScience, Germany)... [Pg.480]

In this section, we discuss a general strategy of virtual screening based on the 3D structure of a target. Typically, the following steps are typically taken. [Pg.43]

FIGURE 2.2 Exploration of the chemical space includes the classification and analysis of databases. To generate structural models several methodologies have been developed, they can be classified into ligand-based and target-based methods. Models derived from these methods are frequently used as a source for virtual screening. [Pg.36]

The Basis for Target-Based Virtual Screening Protein Structures... [Pg.87]

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See also in sourсe #XX -- [ Pg.269 ]



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