Linked Life Data

15713734

Source:http://linkedlifedata.com/resource/pubmed/id/15713734

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
10
pubmed:dateCreated
2005-5-17
pubmed:abstractText
Interaction free energies are crucial for analyzing binding propensities in proteins. Although the problem of computing binding free energies remains open, approximate estimates have become very useful for filtering potential binding complexes. We report on the implementation of a fast computational estimate of the binding free energy based on a statistically determined desolvation contact potential and Coulomb electrostatics with a distance-dependent dielectric constant, and validated in the Critical Assessment of PRotein Interactions experiment. The application also reports residue contact free energies that rapidly highlight the hotspots of the interaction. AVAILABILITY: The program was written in Fortran. The executable and full documentation is freely available at http://structure.pitt.edu/software/FastContact
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
May
pubmed:issn
1367-4803
pubmed:author
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
21
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
2534-6
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
FastContact: rapid estimate of contact and binding free energies.
pubmed:affiliation
Department of Computational Biology, University of Pittsburgh, Pittsburgh, PA 15261, USA. ccamacho@pitt.edu
pubmed:publicationType
Journal Article