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Qianyi Cheng

2 results in Authors: Qianyi Cheng

Theoretical and Computational Chemistry

The Influence of Model Building Schemes and Molecular Dynamics Sampling on QM-cluster Models: The Chorismate Mutase Case Study

Donatus Atsu Agbaglo, Thomas Summers, Qianyi Cheng, Nathan DeYonker

Version 2 posted 14 December 2023

151

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Theoretical and Computational Chemistry

Towards a cheminformatic design for quantum mechanical enzyme models: the case of catechol-O-methyltransferase

Thomas Summers, Qianyi Cheng, Manuel Palma, Diem-Trang Pham, Dudley Kelso III, Charles Edwin Webster, Nathan DeYonker

Version 2 posted 21 December 2020

580

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