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22
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JCC
2006
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JCC 2006
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Ab initio QM/MM dynamics of H3O+ in water
13 years 11 months ago
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chem.hamilton.edu
: A molecular dynamics (MD) simulation based on a combined ab initio quantum mechanics/molecular mechanics (QM/MM) method has been performed to investigate the solvation structure ...
Pathumwadee Intharathep, Anan Tongraar, Kritsana S...
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CGF
2008
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CGF 2008
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Visual Abstractions of Solvent Pathlines near Protein Cavities
13 years 11 months ago
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www.vis.uni-stuttgart.de
bstractions of Solvent Pathlines near Protein Cavities Katrin Bidmon1 , Sebastian Grottel1 , Fabian B
Katrin Bidmon, Sebastian Grottel, Fabian Bös,...
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