Publications
Total number of publications: 58
2015
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Molecular dynamic studies of amyloid-beta interactions with curcumin and Cu2+ ions
Chemical papers, year: 2015, volume: 69, edition: 9, DOI
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Reaction mechanism of ppGalNAcT2: QM/MM Metadynamics and String Method
Year: 2015, type: Conference abstract
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Reaction mechanism study of retaining glycosyltransferase using QM/MM metadynamics and string method
Year: 2015, type: Conference abstract
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Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2
PLoS Computational Biology, year: 2015, volume: 11, edition: 4, DOI
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Towards Fast and Accurate Reactive Molecular Dynamics of Enzymes
Year: 2015, type: Appeared in Conference without Proceedings
2014
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Ab Initio QM/MM molecular dynamics simulations of glycosyltransferases
Year: 2014, type: Conference abstract
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Catalytic Mechanism of the ppGalNAcT2 Retaining Glycosyltransferase Inferred From QM/MM Calculations
Year: 2014, type: Appeared in Conference without Proceedings
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Combined QM/MM MERP and PES calculations on retaining glycosyltransferase ppGalNAcT2
Year: 2014, type: Conference abstract
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Exploring the Reaction Mechanism of O-GlcNAc Transferase using QM/MM Molecular Dynamics
Year: 2014, type: Conference abstract
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Modeling of the N-Acetylglucosaminyltransferase V (GnT-V)
Year: 2014, type: Conference abstract