Linked Life Data

15945627

Source:http://linkedlifedata.com/resource/pubmed/id/15945627

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
15
pubmed:dateCreated
2005-6-10
pubmed:abstractText
In this paper we introduce a mean field method for simulating complex molecular systems like liquids and solutions. Using well-established theoretical principles and models, we obtained a relatively simple approach which seems to provide a reliable description of the bulk molecular behavior of liquid water. Moreover, we have applied this approach to study simple solutes in solution, like sodium and chloride ions and acetone. Comparison with standard simulations, performed with periodic boundary conditions, shows that such a mean field method can reproduce the same structural and thermodynamical properties at low computational costs and represents a valid alternative for simulating solute-solvent systems, like solutions of large biomolecules.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Apr
pubmed:issn
0021-9606
pubmed:author
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
122
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
154109
pubmed:year
2005
pubmed:articleTitle
A mean field approach for molecular simulations of fluid systems.
pubmed:affiliation
Dipartimento di Chimica, Universitá Federico II, Complesso Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy. brancato@caspur.it
pubmed:publicationType
Journal Article