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Modeling an Enzyme Active Site using Molecular Visualization Freeware
Published on: December 25, 2021
Hydrogen-bonded frameworks for conformational analysis of reactive substrates
Alexandra M Dillon1, Alexander G Shtukenberg1, Krystyna M Demkiw1
1Department of Chemistry, New York University, New York City, New York, 10003, USA.
Abstract:
Guanidinium organosulfonate (GS) hydrogen-bonded host frameworks were used to trap α-halopropiophenones and α-halocyclooctanones to determine their molecular structure by single crystal X-ray diffraction. The majority of encapsulated guest molecules adopted conformations expected from computational analysis and stereochemical outcomes of Grignard reactions.
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