Browsing Pharmaceutical Sciences by Subject "Aggregators, colloids, micelles, molecular dynamics, promiscuous inhibitors"
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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 ...