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You Lu
You Lu
Daresbury Laboratory
QM/MM
Chemistry
Computational chemistry
Massively parallel
Python (programming language)
2
Papers
17
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Revealing the Mechanism of Isethionate Sulfite-Lyase by QM/MM Calculations.
2021
Journal of Chemical Information and Modeling
Wen-Hao Deng
You Lu
Rong-Zhen Liao
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Open-source, python-based redevelopment of the ChemShell multiscale QM/MM environment
2019
Journal of Chemical Theory and Computation
You Lu
Matthew R. Farrow
Pierre Fayon
Andrew J. Logsdail
Alexey A. Sokol
C. Richard A. Catlow
Paul Sherwood
Thomas W. Keal
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Citations (17)
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