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Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density
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Journal Title: | The Journal of Physical Chemistry B |
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Authors and Corporations: | , , , |
In: | The Journal of Physical Chemistry B, 123, 2019, 18, p. 3935-3944 |
Type of Resource: | E-Article |
Language: | English |
published: |
American Chemical Society (ACS)
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Subjects: |