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Dihydrofolate Reductase (DHFR) is an enzyme important for the process of cell growth in organisms. Thus, an inhibitor for DHFR can be useful to reduce the rate of cell growth. Methotrexate is such an inhibitor and is used as an anticancer drug in chemo therapy [S88].
The structure of the complex of DHFR and methotrexate is determined by X-ray crystallography. FlexX is able to reproduce this complex with 0.9 A RMS (see picture) within two minutes on a workstation, considering the full flexibility of the ligand.
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