Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1 Pt 1
pubmed:dateCreated
1999-2-22
pubmed:abstractText
Electrostatics plays a key role in many biological processes. The Poisson-Boltzmann equation (PBE) and its linearized form (LPBE) allow prediction of electrostatic effects for biomolecular systems. The discrepancies between the solutions of the PBE and those of the LPBE are well known for systems with a simple geometry, but much less for biomolecular systems. Results for high charge density systems show that there are limitations to the applicability of the LPBE at low ionic strength and, to a lesser extent, at higher ionic strength. For systems with a simple geometry, the onset of nonlinear effects has been shown to be governed by the ratio of the electric field over the Debye screening constant. This ratio is used in the present work to correct the LPBE results to reproduce fairly accurately those obtained from the PBE for systems with a simple geometry. Since the correction does not involve any geometrical parameter, it can be easily applied to real biomolecular systems. The error on the potential for the LPBE (compared to the PBE) spans few kT/q for the systems studied here and is greatly reduced by the correction. This allows for a more accurate evaluation of the electrostatic free energy of the systems.
pubmed:commentsCorrections
http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-1784185, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-3589666, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-3790703, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-7512653, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-7761829, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-7903398, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-8122110, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-8176733, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-8289329, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-8800475, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-9096232, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-9115437, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-9377711, http://linkedlifedata.com/resource/pubmed/commentcorrection/9876118-9398531
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
0006-3495
pubmed:author
pubmed:issnType
Print
pubmed:volume
76
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1-16
pubmed:dateRevised
2009-11-18
pubmed:meshHeading
pubmed:year
1999
pubmed:articleTitle
Biomolecular electrostatics with the linearized Poisson-Boltzmann equation.
pubmed:affiliation
Dipartimento Scientifico Tecnologico, University of Verona, 37100 Verona, Italy.federico@nmr.sci.univr.it
pubmed:publicationType
Journal Article, Comparative Study