MD simulations
Title | Keywords | Date submitted | State | Conference |
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QM/MM study of the cyclization reaction mechanism for pimelic o-aminobenzamide Histone deacetylase (HDAC) inhibitor 4b | Histone deacetylase, histone deacetylase inhibitors, 2-aminobenzamide, QM/MM, MD simulations, reaction mechanisms, intramolecular cyclization | 13.03.2025 - 19:19 | In review | ![]() |