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An adaptive quantum mechanics/molecular mechanics method for the infrared spectrum of water: incorporation of the quantum effect between solute and solvent - Physical Chemistry Chemical Physics (RSC Publishing)
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Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in systems involving dispersion correlations - Physical Chemistry Chemical Physics (RSC Publishing)
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Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms - Sousa - 2017 - WIREs Computational Molecular Science - Wiley Online Library
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Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks | Journal of Chemical Theory and Computation
Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations Support a Concerted Reaction Mechanism for the Zika Virus NS2B/NS3 Serine Protease with Its Substrate | The Journal of Physical Chemistry B
Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks | Journal of Chemical Theory and Computation
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Quantum Mechanical and Molecular Mechanics Modeling of Membrane-Embedded Rhodopsins | SpringerLink