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Inclusion of citral isomers in native and methylated cyclodextrins: Structural insights by X-ray crystallography and molecular dynamics simulation analysis
Journal of Molecular Structure
◽
10.1016/j.molstruc.2021.130169
◽
2021
◽
Vol 1234
◽
pp. 130169
Author(s):
Katerina Fourtaka
◽
Elias Christoforides
◽
Pavlos Tzamalis
◽
Kostas Bethanis
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Simulation Analysis
◽
Dynamics Simulation
◽
X Ray
◽
X Ray Crystallography
◽
Methylated Cyclodextrins
◽
Structural Insights
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Binding Modes
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1P-020 Mechanism of Interfacial Activation of a Family I.3 Lipase with Two Lid Structures Revealed by X-ray Crystallography and Molecular Dynamics Simulation(Protein:Structure & Function, The 47th Annual Meeting of the Biophysical Society of Japan)
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◽
2009
◽
Vol 49
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pp. S66
Author(s):
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Molecular Dynamics Simulation
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2009
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Protein Science
◽
10.1002/pro.5560030204
◽
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◽
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