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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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| Zeitschriftentitel: | The Journal of Physical Chemistry B |
|---|---|
| Personen und Körperschaften: | , , , |
| In: | The Journal of Physical Chemistry B, 123, 2019, 18, S. 3935-3944 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
American Chemical Society (ACS)
|
| Schlagwörter: |
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Tichauer, Ruth H. Favre, Gilles Cabantous, Stéphanie Brut, Marie Tichauer, Ruth H. Favre, Gilles Cabantous, Stéphanie Brut, Marie |
|---|---|
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Tichauer, Ruth H. Favre, Gilles Cabantous, Stéphanie Brut, Marie |
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Tichauer, Ruth H. Favre, Gilles Cabantous, Stéphanie Brut, Marie The Journal of Physical Chemistry B Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density Materials Chemistry Surfaces, Coatings and Films Physical and Theoretical Chemistry |
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tichauer, ruth h. |
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Tichauer, Ruth H. Favre, Gilles Cabantous, Stéphanie Brut, Marie 1520-6106 1520-5207 American Chemical Society (ACS) Materials Chemistry Surfaces, Coatings and Films Physical and Theoretical Chemistry http://dx.doi.org/10.1021/acs.jpcb.9b02660 Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21<sup>N-ras</sup> and the Resulting GTP Electronic Density The Journal of Physical Chemistry B |
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| title |
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_unstemmed |
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_full |
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_fullStr |
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_full_unstemmed |
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_short |
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_sort |
hybrid qm/mm vs pure mm molecular dynamics for evaluating water distribution within p21<sup>n-ras</sup> and the resulting gtp electronic density |
| topic |
Materials Chemistry Surfaces, Coatings and Films Physical and Theoretical Chemistry |
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http://dx.doi.org/10.1021/acs.jpcb.9b02660 |
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| author | Tichauer, Ruth H., Favre, Gilles, Cabantous, Stéphanie, Brut, Marie |
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| spelling | Tichauer, Ruth H. Favre, Gilles Cabantous, Stéphanie Brut, Marie 1520-6106 1520-5207 American Chemical Society (ACS) Materials Chemistry Surfaces, Coatings and Films Physical and Theoretical Chemistry http://dx.doi.org/10.1021/acs.jpcb.9b02660 Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21<sup>N-ras</sup> and the Resulting GTP Electronic Density The Journal of Physical Chemistry B |
| spellingShingle | Tichauer, Ruth H., Favre, Gilles, Cabantous, Stéphanie, Brut, Marie, The Journal of Physical Chemistry B, Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density, Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry |
| title | Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_full | Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_fullStr | Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_full_unstemmed | Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_short | Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| title_sort | hybrid qm/mm vs pure mm molecular dynamics for evaluating water distribution within p21<sup>n-ras</sup> and the resulting gtp electronic density |
| title_unstemmed | Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density |
| topic | Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry |
| url | http://dx.doi.org/10.1021/acs.jpcb.9b02660 |