Molecular Dynamics Simulation of Cyclooxygenase-2 Complexes with Indomethacin closo-Carborane Analogs
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DOI: 10.1021/acs.jcim.8b00275
Abstract: Molecular dynamics simulation of carborane-containing ligands in complex with target enzymes is a challenging task due to the unique structure and properties of the carborane substituents and relative lack of appropriate experimental data to help… read more here.
Keywords: cyclooxygenase; molecular dynamics; carborane force; carborane ... See more keywords