Articles with "short molecular" as a keyword



Deciphering Selectivity Mechanism of BRD9 and TAF1(2) toward Inhibitors Based on Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations

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Published in 2023 at "Molecules"

DOI: 10.3390/molecules28062583

Abstract: BRD9 and TAF1(2) have been regarded as significant targets of drug design for clinically treating acute myeloid leukemia, malignancies, and inflammatory diseases. In this study, multiple short molecular dynamics simulations combined with the molecular mechanics… read more here.

Keywords: taf1; brd9 taf1; brd9; short molecular ... See more keywords