17912422

Source:http://linkedlifedata.com/resource/pubmed/id/17912422

Download in:

Switch to

Custom View

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0026336, umls-concept:C0185125, umls-concept:C0205246, umls-concept:C1328819
pubmed:issue	35
pubmed:dateCreated	2007-10-3
pubmed:abstractText	This work presents a Generalized Born model for the computation of the electrostatic component of solvation energies which is based on volume integration. An analytic masking function is introduced to remove Coulombic singularities. This approach leads to analytic formulae for the computation of Born radii, which are differentiable to arbitrary order, and computationally straightforward to implement.
pubmed:language	eng
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/100888160
pubmed:status	PubMed-not-MEDLINE
pubmed:month	Sep
pubmed:issn	1463-9076
pubmed:author	pubmed-author:GrantJ AJA, pubmed-author:KitchenC ACA, pubmed-author:NichollsAA, pubmed-author:PickupB TBT, pubmed-author:SykesM JMJ
pubmed:issnType	Print
pubmed:day	21
pubmed:volume	9
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	4913-22
pubmed:year	2007
pubmed:articleTitle	The Gaussian Generalized Born model: application to small molecules.
pubmed:affiliation	AstraZeneca Pharmaceuticals, Mereside, Macclesfield, Cheshire, UK. Andrew.Grant@astrazeneca.com
pubmed:publicationType	Journal Article