Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field.
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Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force fieldPerformance of the SMD and SM8 models for predicting solvation free energy of neutral solutes in methanol, dimethyl sulfoxide and acetonitrile.Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge.Direct computation of parameters for accurate polarizable force fields.
P2860
Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field.
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2014 թվականի մարտին հրատարակված գիտական հոդված
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2014年の論文
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2014年論文
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2014年論文
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2014年論文
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2014年論文
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2014年論文
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2014年论文
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name
Prediction of hydration free e ...... MOEBA polarizable force field.
@ast
Prediction of hydration free e ...... MOEBA polarizable force field.
@en
type
label
Prediction of hydration free e ...... MOEBA polarizable force field.
@ast
Prediction of hydration free e ...... MOEBA polarizable force field.
@en
prefLabel
Prediction of hydration free e ...... MOEBA polarizable force field.
@ast
Prediction of hydration free e ...... MOEBA polarizable force field.
@en
P2860
P1476
Prediction of hydration free e ...... AMOEBA polarizable force field
@en
P2093
Francesco Manzoni
P2860
P2888
P304
P356
10.1007/S10822-014-9733-3
P577
2014-03-01T00:00:00Z