Linked Life Data

19222200

Source:http://linkedlifedata.com/resource/pubmed/id/19222200

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
4
pubmed:dateCreated
2009-10-22
pubmed:abstractText
In a recent Account, Cramer and Truhlar presented a comparison between the SM8 method and standard versions of other continuum solvation models implemented in widely available quantum mechanical programs. In that Account, the SM8 model was found to lead to "considerably smaller errors for aqueous and nonaqueous free energies of solvation for neutrals, cations, and anions, with particularly good performance for nonaqueous data". Here, we demonstrate that competing solvation methods are indeed as accurate as the SM8 method, if they are applied with the same rigor.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Apr
pubmed:issn
1520-4898
pubmed:author
pubmed:issnType
Electronic
pubmed:day
21
pubmed:volume
42
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
489-92; discussion 493-7
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling".
pubmed:affiliation
COSMOlogic GmbH&COKG, Burscheider Str. 515, 51381 Leverkusen, Germany. klamt@cosmologic.de
pubmed:publicationType
Journal Article