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Identification of new inhibitors of Mdm2-p53 interaction via pharmacophore and structure-based virtual screening
(Dove Medical Press Ltd., 2018)
Background: The tumor suppressor protein p53 plays an important role in preventing tumor formation and progression through its involvement in cell division control and initiation of apoptosis. Mdm2 protein controls the ...
Comparative Molecular Dynamics Simulation of Aggregating and Non-Aggregating Inhibitor Solutions: Understanding the Molecular Basis of Promiscuity
(John Wiley and Sons Ltd., 2018)
The presence of false positives in enzyme inhibition assays is a common problem in early drug discovery, especially for compounds that form colloid aggregates in solution. The molecular basis of these aggregates could not ...