FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4239556410> ?p ?o ?g. }

• W4239556410 endingPage "115" @default.
• W4239556410 startingPage "106" @default.
• W4239556410 abstract "Much progress has been achieved on quantitative assessment of electrostatic interactions on the all-atom level by molecular mechanics and dynamics, as well as on the macroscopic level by models of continuum solvation. Bridging of the two representations-an area of active research-is necessary for studying integrated functions of large systems of biological importance. Following perspectives of both discrete (N-body) interaction and continuum solvation, we present a new algorithm, DiSCO (Discrete Surface Charge Optimization), for economically describing the electrostatic field predicted by Poisson-Boltzmann theory using a discrete set of Debye-Hückel charges distributed on a virtual surface enclosing the macromolecule. The procedure in DiSCO relies on the linear behavior of the Poisson-Boltzmann equation in the far zone; thus contributions from a number of molecules may be superimposed, and the electrostatic potential, or equivalently the electrostatic field, may be quickly and efficiently approximated by the summation of contributions from the set of charges. The desired accuracy of this approximation is achieved by minimizing the difference between the Poisson-Boltzmann electrostatic field and that produced by the linearized Debye-Hückel approximation using our truncated Newton optimization package. DiSCO is applied here to describe the salt-dependent electrostatic environment of the nucleosome core particle in terms of several hundred surface charges. This representation forms the basis for modeling-by dynamic simulations (or Monte Carlo)-the folding of chromatin. DiSCO can be applied more generally to many macromolecular systems whose size and complexity warrant a model resolution between the all-atom and macroscopic levels." @default.
• W4239556410 created "2022-05-12" @default.
• W4239556410 creator A5046513501 @default.
• W4239556410 creator A5054763364 @default.
• W4239556410 date "2000-01-01" @default.
• W4239556410 modified "2023-10-18" @default.
• W4239556410 title "Modeling salt-mediated electrostatics of macromolecules: The discrete surface charge optimization algorithm and its application to the nucleosome" @default.
• W4239556410 cites W1498399113 @default.
• W4239556410 cites W1966612732 @default.
• W4239556410 cites W1966743338 @default.
• W4239556410 cites W1967560809 @default.
• W4239556410 cites W1989925383 @default.
• W4239556410 cites W1997639796 @default.
• W4239556410 cites W2020561870 @default.
• W4239556410 cites W2021534482 @default.
• W4239556410 cites W2023269994 @default.
• W4239556410 cites W2032518125 @default.
• W4239556410 cites W2039833566 @default.
• W4239556410 cites W2042354277 @default.
• W4239556410 cites W2045454144 @default.
• W4239556410 cites W2048866816 @default.
• W4239556410 cites W2049244328 @default.
• W4239556410 cites W2051568142 @default.
• W4239556410 cites W2066101808 @default.
• W4239556410 cites W2069181215 @default.
• W4239556410 cites W2069634682 @default.
• W4239556410 cites W2071675188 @default.
• W4239556410 cites W2081588627 @default.
• W4239556410 cites W2082865891 @default.
• W4239556410 cites W2085934556 @default.
• W4239556410 cites W2102698033 @default.
• W4239556410 cites W2106315897 @default.
• W4239556410 cites W2122199548 @default.
• W4239556410 cites W2125323855 @default.
• W4239556410 cites W2127116852 @default.
• W4239556410 cites W2134544924 @default.
• W4239556410 cites W2136887986 @default.
• W4239556410 cites W2144792857 @default.
• W4239556410 cites W2162156855 @default.
• W4239556410 cites W4247951394 @default.
• W4239556410 doi "https://doi.org/10.1002/1097-0282(200101)58:1<106::aid-bip100>3.0.co;2-" @default.
• W4239556410 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11072233" @default.
• W4239556410 hasPublicationYear "2000" @default.
• W4239556410 type Work @default.
• W4239556410 citedByCount "78" @default.
• W4239556410 countsByYear W42395564102012 @default.
• W4239556410 countsByYear W42395564102013 @default.
• W4239556410 countsByYear W42395564102014 @default.
• W4239556410 countsByYear W42395564102015 @default.
• W4239556410 countsByYear W42395564102016 @default.
• W4239556410 countsByYear W42395564102017 @default.
• W4239556410 countsByYear W42395564102018 @default.
• W4239556410 countsByYear W42395564102019 @default.
• W4239556410 countsByYear W42395564102020 @default.
• W4239556410 countsByYear W42395564102021 @default.
• W4239556410 countsByYear W42395564102022 @default.
• W4239556410 countsByYear W42395564102023 @default.
• W4239556410 crossrefType "journal-article" @default.
• W4239556410 hasAuthorship W4239556410A5046513501 @default.
• W4239556410 hasAuthorship W4239556410A5054763364 @default.
• W4239556410 hasConcept C105795698 @default.
• W4239556410 hasConcept C10803110 @default.
• W4239556410 hasConcept C109757611 @default.
• W4239556410 hasConcept C117626034 @default.
• W4239556410 hasConcept C121332964 @default.
• W4239556410 hasConcept C121864883 @default.
• W4239556410 hasConcept C145148216 @default.
• W4239556410 hasConcept C148093993 @default.
• W4239556410 hasConcept C184654806 @default.
• W4239556410 hasConcept C185592680 @default.
• W4239556410 hasConcept C19499675 @default.
• W4239556410 hasConcept C202444582 @default.
• W4239556410 hasConcept C32909587 @default.
• W4239556410 hasConcept C33923547 @default.
• W4239556410 hasConcept C62520636 @default.
• W4239556410 hasConcept C74650414 @default.
• W4239556410 hasConcept C9652623 @default.
• W4239556410 hasConceptScore W4239556410C105795698 @default.
• W4239556410 hasConceptScore W4239556410C10803110 @default.
• W4239556410 hasConceptScore W4239556410C109757611 @default.
• W4239556410 hasConceptScore W4239556410C117626034 @default.
• W4239556410 hasConceptScore W4239556410C121332964 @default.
• W4239556410 hasConceptScore W4239556410C121864883 @default.
• W4239556410 hasConceptScore W4239556410C145148216 @default.
• W4239556410 hasConceptScore W4239556410C148093993 @default.
• W4239556410 hasConceptScore W4239556410C184654806 @default.
• W4239556410 hasConceptScore W4239556410C185592680 @default.
• W4239556410 hasConceptScore W4239556410C19499675 @default.
• W4239556410 hasConceptScore W4239556410C202444582 @default.
• W4239556410 hasConceptScore W4239556410C32909587 @default.
• W4239556410 hasConceptScore W4239556410C33923547 @default.
• W4239556410 hasConceptScore W4239556410C62520636 @default.
• W4239556410 hasConceptScore W4239556410C74650414 @default.
• W4239556410 hasConceptScore W4239556410C9652623 @default.
• W4239556410 hasIssue "1" @default.
• W4239556410 hasLocation W42395564101 @default.
• W4239556410 hasLocation W42395564102 @default.
• W4239556410 hasOpenAccess W4239556410 @default.

• next