Parameter optimization in differential geometry based solvation models.
about
Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies.Breaking the polar-nonpolar division in solvation free energy prediction.Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database.ESES: Software for Eulerian solvent excluded surface.The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling.
P2860
Parameter optimization in differential geometry based solvation models.
description
2015 nî lūn-bûn
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2015年の論文
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2015年学术文章
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2015年学术文章
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2015年學術文章
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name
Parameter optimization in differential geometry based solvation models.
@en
Parameter optimization in differential geometry based solvation models.
@nl
type
label
Parameter optimization in differential geometry based solvation models.
@en
Parameter optimization in differential geometry based solvation models.
@nl
prefLabel
Parameter optimization in differential geometry based solvation models.
@en
Parameter optimization in differential geometry based solvation models.
@nl
P2860
P356
P1476
Parameter optimization in differential geometry based solvation models.
@en
P2093
P2860
P304
P356
10.1063/1.4932342
P407
P577
2015-10-01T00:00:00Z
P5875
P698
P818
1508.00642