Matches in SemOpenAlex for { <https://semopenalex.org/work/W2092524226> ?p ?o ?g. }
- W2092524226 endingPage "477" @default.
- W2092524226 startingPage "470" @default.
- W2092524226 abstract "Born-type electrostatic continuum methods have been an indispensable ingredient in a variety of implicit-solvent methods that reduce computational effort by orders of magnitude compared to explicit-solvent MD simulations and thus enable treatment using larger systems and/or longer times. An analysis of the limitations and failures of the Born approaches serves as a guide for fundamental improvements without diminishing the importance of prior works. One of the major limitations of the Born theory is the lack of a liquidlike description of the response of solvent dipoles to the electrostatic field of the solute and the changes therein, a feature contained in the continuum Langevin-Debye (LD) model applied here to investigate how Coulombic interactions depend on the location of charges relative to the protein/water boundary. This physically more realistic LD model is applied to study the stability of salt bridges. When compared head to head using the same (independently measurable) physical parameters (radii, dielectric constants, etc.), the LD model is in good agreement with observations, whereas the Born model is grossly in error. Our calculations also suggest that a salt bridge on the protein's surface can be stabilizing when the charge separation is ≤4 Å." @default.
- W2092524226 created "2016-06-24" @default.
- W2092524226 creator A5052757593 @default.
- W2092524226 creator A5080207299 @default.
- W2092524226 date "2010-02-01" @default.
- W2092524226 modified "2023-10-10" @default.
- W2092524226 title "Electrostatic Solvation Energy for Two Oppositely Charged Ions in a Solvated Protein System: Salt Bridges Can Stabilize Proteins" @default.
- W2092524226 cites W1490138956 @default.
- W2092524226 cites W1539792790 @default.
- W2092524226 cites W1548718817 @default.
- W2092524226 cites W157808733 @default.
- W2092524226 cites W1967712722 @default.
- W2092524226 cites W1977867181 @default.
- W2092524226 cites W1978853657 @default.
- W2092524226 cites W1979395376 @default.
- W2092524226 cites W1980022131 @default.
- W2092524226 cites W1984662099 @default.
- W2092524226 cites W1987993651 @default.
- W2092524226 cites W2006195756 @default.
- W2092524226 cites W2018971972 @default.
- W2092524226 cites W2025880126 @default.
- W2092524226 cites W2026467865 @default.
- W2092524226 cites W2035407823 @default.
- W2092524226 cites W2037804766 @default.
- W2092524226 cites W2047730466 @default.
- W2092524226 cites W2049268821 @default.
- W2092524226 cites W2050724948 @default.
- W2092524226 cites W2057664120 @default.
- W2092524226 cites W2059997654 @default.
- W2092524226 cites W2060212880 @default.
- W2092524226 cites W2075770294 @default.
- W2092524226 cites W2077646005 @default.
- W2092524226 cites W2080382112 @default.
- W2092524226 cites W2085773699 @default.
- W2092524226 cites W2086647787 @default.
- W2092524226 cites W2089258285 @default.
- W2092524226 cites W2091051349 @default.
- W2092524226 cites W2091876801 @default.
- W2092524226 cites W2093015919 @default.
- W2092524226 cites W2102640727 @default.
- W2092524226 cites W2106320506 @default.
- W2092524226 cites W2115529436 @default.
- W2092524226 cites W2121881427 @default.
- W2092524226 cites W2131713387 @default.
- W2092524226 cites W2135469866 @default.
- W2092524226 cites W2146686098 @default.
- W2092524226 cites W2151668433 @default.
- W2092524226 cites W2161006313 @default.
- W2092524226 cites W2316052192 @default.
- W2092524226 cites W2326203395 @default.
- W2092524226 cites W2332669088 @default.
- W2092524226 cites W4232011551 @default.
- W2092524226 doi "https://doi.org/10.1016/j.bpj.2009.10.031" @default.
- W2092524226 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2814203" @default.
- W2092524226 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20141761" @default.
- W2092524226 hasPublicationYear "2010" @default.
- W2092524226 type Work @default.
- W2092524226 sameAs 2092524226 @default.
- W2092524226 citedByCount "24" @default.
- W2092524226 countsByYear W20925242262012 @default.
- W2092524226 countsByYear W20925242262015 @default.
- W2092524226 countsByYear W20925242262017 @default.
- W2092524226 countsByYear W20925242262018 @default.
- W2092524226 countsByYear W20925242262019 @default.
- W2092524226 countsByYear W20925242262020 @default.
- W2092524226 countsByYear W20925242262021 @default.
- W2092524226 countsByYear W20925242262022 @default.
- W2092524226 countsByYear W20925242262023 @default.
- W2092524226 crossrefType "journal-article" @default.
- W2092524226 hasAuthorship W2092524226A5052757593 @default.
- W2092524226 hasAuthorship W2092524226A5080207299 @default.
- W2092524226 hasBestOaLocation W20925242261 @default.
- W2092524226 hasConcept C104317684 @default.
- W2092524226 hasConcept C117626034 @default.
- W2092524226 hasConcept C121332964 @default.
- W2092524226 hasConcept C133386390 @default.
- W2092524226 hasConcept C143065580 @default.
- W2092524226 hasConcept C145148216 @default.
- W2092524226 hasConcept C147597530 @default.
- W2092524226 hasConcept C147789679 @default.
- W2092524226 hasConcept C148093993 @default.
- W2092524226 hasConcept C159467904 @default.
- W2092524226 hasConcept C173523689 @default.
- W2092524226 hasConcept C178790620 @default.
- W2092524226 hasConcept C185592680 @default.
- W2092524226 hasConcept C192562407 @default.
- W2092524226 hasConcept C2780471494 @default.
- W2092524226 hasConcept C30765947 @default.
- W2092524226 hasConcept C40899509 @default.
- W2092524226 hasConcept C55493867 @default.
- W2092524226 hasConcept C62520636 @default.
- W2092524226 hasConcept C64147673 @default.
- W2092524226 hasConceptScore W2092524226C104317684 @default.
- W2092524226 hasConceptScore W2092524226C117626034 @default.
- W2092524226 hasConceptScore W2092524226C121332964 @default.
- W2092524226 hasConceptScore W2092524226C133386390 @default.
- W2092524226 hasConceptScore W2092524226C143065580 @default.
- W2092524226 hasConceptScore W2092524226C145148216 @default.