Matches in SemOpenAlex for { <https://semopenalex.org/work/W98257838> ?p ?o ?g. }
- W98257838 endingPage "89" @default.
- W98257838 startingPage "61" @default.
- W98257838 abstract "Abstract The definition of a molecular surface which is physically sound and computationally efficient is a very interesting and long standing problem in the implicit solvent continuum modeling of biomolecular systems as well as in the molecular graphics field. In this work, two molecular surfaces are evaluated with respect to their suitability for electrostatic computation as alternatives to the widely used Connolly-Richards surface: the blobby surface, an implicit Gaussian atom centered surface, and the skin surface. As figures of merit, we considered surface differentiability and surface area continuity with respect to atom positions, and the agreement with explicit solvent simulations. Geometric analysis seems to privilege the skin to the blobby surface, and points to an unexpected relationship between the non connectedness of the surface, caused by interstices in the solute volume, and the surface area dependence on atomic centers. In order to assess the ability to reproduce explicit solvent results, specific software tools have been developed to enable the use of the skin surface in Poisson-Boltzmann calculations with the DelPhi solver. The results indicate that the skin and Connolly surfaces have a comparable performance from this last point of view." @default.
- W98257838 created "2016-06-24" @default.
- W98257838 creator A5004937122 @default.
- W98257838 creator A5014807457 @default.
- W98257838 creator A5022887048 @default.
- W98257838 creator A5068329396 @default.
- W98257838 creator A5075727451 @default.
- W98257838 creator A5089704088 @default.
- W98257838 date "2013-01-01" @default.
- W98257838 modified "2023-09-27" @default.
- W98257838 title "Between Algorithm and Model: Different Molecular Surface Definitions for the Poisson-Boltzmann Based Electrostatic Characterization of Biomolecules in Solution" @default.
- W98257838 cites W1967809254 @default.
- W98257838 cites W1971317029 @default.
- W98257838 cites W1971724949 @default.
- W98257838 cites W1975015507 @default.
- W98257838 cites W1993828173 @default.
- W98257838 cites W2004360551 @default.
- W98257838 cites W2006502673 @default.
- W98257838 cites W2013864404 @default.
- W98257838 cites W2017423633 @default.
- W98257838 cites W2025880126 @default.
- W98257838 cites W2028031397 @default.
- W98257838 cites W2031305384 @default.
- W98257838 cites W2034757624 @default.
- W98257838 cites W2052083266 @default.
- W98257838 cites W2054316010 @default.
- W98257838 cites W2057664120 @default.
- W98257838 cites W2058806155 @default.
- W98257838 cites W2059217294 @default.
- W98257838 cites W2060304556 @default.
- W98257838 cites W2062224822 @default.
- W98257838 cites W2062807652 @default.
- W98257838 cites W2063831812 @default.
- W98257838 cites W2077082416 @default.
- W98257838 cites W2095822427 @default.
- W98257838 cites W2110562802 @default.
- W98257838 cites W2113167159 @default.
- W98257838 cites W2113712276 @default.
- W98257838 cites W2134022723 @default.
- W98257838 cites W2145093702 @default.
- W98257838 cites W2156260957 @default.
- W98257838 cites W4233857083 @default.
- W98257838 cites W4293003482 @default.
- W98257838 cites W53817057 @default.
- W98257838 doi "https://doi.org/10.4208/cicp.050711.111111s" @default.
- W98257838 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3601494" @default.
- W98257838 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23519863" @default.
- W98257838 hasPublicationYear "2013" @default.
- W98257838 type Work @default.
- W98257838 sameAs 98257838 @default.
- W98257838 citedByCount "46" @default.
- W98257838 countsByYear W982578382013 @default.
- W98257838 countsByYear W982578382014 @default.
- W98257838 countsByYear W982578382015 @default.
- W98257838 countsByYear W982578382016 @default.
- W98257838 countsByYear W982578382017 @default.
- W98257838 countsByYear W982578382018 @default.
- W98257838 countsByYear W982578382019 @default.
- W98257838 countsByYear W982578382020 @default.
- W98257838 countsByYear W982578382021 @default.
- W98257838 countsByYear W982578382022 @default.
- W98257838 countsByYear W982578382023 @default.
- W98257838 crossrefType "journal-article" @default.
- W98257838 hasAuthorship W98257838A5004937122 @default.
- W98257838 hasAuthorship W98257838A5014807457 @default.
- W98257838 hasAuthorship W98257838A5022887048 @default.
- W98257838 hasAuthorship W98257838A5068329396 @default.
- W98257838 hasAuthorship W98257838A5075727451 @default.
- W98257838 hasAuthorship W98257838A5089704088 @default.
- W98257838 hasBestOaLocation W982578382 @default.
- W98257838 hasConcept C109757611 @default.
- W98257838 hasConcept C11072593 @default.
- W98257838 hasConcept C11413529 @default.
- W98257838 hasConcept C121332964 @default.
- W98257838 hasConcept C121864883 @default.
- W98257838 hasConcept C145148216 @default.
- W98257838 hasConcept C147597530 @default.
- W98257838 hasConcept C148093993 @default.
- W98257838 hasConcept C185592680 @default.
- W98257838 hasConcept C192562407 @default.
- W98257838 hasConcept C199360897 @default.
- W98257838 hasConcept C2524010 @default.
- W98257838 hasConcept C2776799497 @default.
- W98257838 hasConcept C2778770139 @default.
- W98257838 hasConcept C2779455329 @default.
- W98257838 hasConcept C32909587 @default.
- W98257838 hasConcept C33923547 @default.
- W98257838 hasConcept C41008148 @default.
- W98257838 hasConcept C45374587 @default.
- W98257838 hasConcept C459310 @default.
- W98257838 hasConcept C62520636 @default.
- W98257838 hasConceptScore W98257838C109757611 @default.
- W98257838 hasConceptScore W98257838C11072593 @default.
- W98257838 hasConceptScore W98257838C11413529 @default.
- W98257838 hasConceptScore W98257838C121332964 @default.
- W98257838 hasConceptScore W98257838C121864883 @default.
- W98257838 hasConceptScore W98257838C145148216 @default.
- W98257838 hasConceptScore W98257838C147597530 @default.