Matches in SemOpenAlex for { <https://semopenalex.org/work/W1992122390> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W1992122390 endingPage "85" @default.
- W1992122390 startingPage "75" @default.
- W1992122390 abstract "Abstract Recent site-directed mutagenesis and thermodynamic studies have shown that the V74I mutant of Escherichia coli ribonuclease HI (RNase HI) is more stable than the wild type protein [Ishikawa et al., Biochemistry 32, 6171 (1993)]. In order to clarify the stabilization mechanism of this mutant, we calculated the free energy change due to the mutation Val 74→Ile in both the native and denatured states by free energy perturbations based on molecular dynamics (MD) simulations. We carried out inclusive MD simulations for the protein in water; i.e., fully solvated, no artificial constraints applied, and all long-range Coulomb interactions included. We found that the free energy of the mutant increased slightly relative to the wild type, in the native state by 1.60 kcal/mol, and in the denatured state by 2.25 kcal/mol. The unfolding free energy increment of the mutant (0.66 ± 0.19 kcal/mol) was in good agreement with the experimental value (0.6 kcal/mol). The hysteresis error in the free energy calculations, i.e., forward and reverse perturbations, was only ±0.19 kcal/mol. These results show that the V74I mutant is stabilized relative to the wild type by the increased free energy of the denatured state and not by a decrease in the free energy of the native state as had been proposed earlier based on the mutant X-ray structure. It was found that the stabilization was caused by a loss of solvation energy in the mutant denatured state and not by improved packing interactions inside the native protein. Key Words: Cavity-filling mutationfree energy perturbation methodthermal stabilityparticle-particle and particle-cell (PPPC) methodacceptance ratio method (ARM)" @default.
- W1992122390 created "2016-06-24" @default.
- W1992122390 creator A5009330048 @default.
- W1992122390 creator A5015956479 @default.
- W1992122390 date "1996-01-01" @default.
- W1992122390 modified "2023-10-18" @default.
- W1992122390 title "Molecular Dynamics/Free Energy Perturbation Studies of the Thermostable V74I Mutant of Ribonuclease HI" @default.
- W1992122390 cites W1491824558 @default.
- W1992122390 cites W1964052558 @default.
- W1992122390 cites W1966480910 @default.
- W1992122390 cites W1967747296 @default.
- W1992122390 cites W1978415484 @default.
- W1992122390 cites W1979046104 @default.
- W1992122390 cites W1979249166 @default.
- W1992122390 cites W1983611815 @default.
- W1992122390 cites W1989417429 @default.
- W1992122390 cites W1992296176 @default.
- W1992122390 cites W1997673248 @default.
- W1992122390 cites W1998456451 @default.
- W1992122390 cites W2001838626 @default.
- W1992122390 cites W2016111085 @default.
- W1992122390 cites W2022497081 @default.
- W1992122390 cites W2026339550 @default.
- W1992122390 cites W2028231353 @default.
- W1992122390 cites W2032192940 @default.
- W1992122390 cites W2046218375 @default.
- W1992122390 cites W2052237600 @default.
- W1992122390 cites W2062158325 @default.
- W1992122390 cites W2069297570 @default.
- W1992122390 cites W2070783701 @default.
- W1992122390 cites W2075481658 @default.
- W1992122390 cites W2081670113 @default.
- W1992122390 cites W2082222554 @default.
- W1992122390 cites W2095338319 @default.
- W1992122390 cites W2100647908 @default.
- W1992122390 cites W2110908678 @default.
- W1992122390 cites W2140151763 @default.
- W1992122390 cites W2145778955 @default.
- W1992122390 cites W2161284655 @default.
- W1992122390 cites W4233439880 @default.
- W1992122390 doi "https://doi.org/10.1080/08927029608024062" @default.
- W1992122390 hasPublicationYear "1996" @default.
- W1992122390 type Work @default.
- W1992122390 sameAs 1992122390 @default.
- W1992122390 citedByCount "12" @default.
- W1992122390 crossrefType "journal-article" @default.
- W1992122390 hasAuthorship W1992122390A5009330048 @default.
- W1992122390 hasAuthorship W1992122390A5015956479 @default.
- W1992122390 hasConcept C104317684 @default.
- W1992122390 hasConcept C10879258 @default.
- W1992122390 hasConcept C143065580 @default.
- W1992122390 hasConcept C147597530 @default.
- W1992122390 hasConcept C148093993 @default.
- W1992122390 hasConcept C162641036 @default.
- W1992122390 hasConcept C185592680 @default.
- W1992122390 hasConcept C19472624 @default.
- W1992122390 hasConcept C2780471494 @default.
- W1992122390 hasConcept C55493867 @default.
- W1992122390 hasConcept C59593255 @default.
- W1992122390 hasConcept C67705224 @default.
- W1992122390 hasConcept C8010536 @default.
- W1992122390 hasConceptScore W1992122390C104317684 @default.
- W1992122390 hasConceptScore W1992122390C10879258 @default.
- W1992122390 hasConceptScore W1992122390C143065580 @default.
- W1992122390 hasConceptScore W1992122390C147597530 @default.
- W1992122390 hasConceptScore W1992122390C148093993 @default.
- W1992122390 hasConceptScore W1992122390C162641036 @default.
- W1992122390 hasConceptScore W1992122390C185592680 @default.
- W1992122390 hasConceptScore W1992122390C19472624 @default.
- W1992122390 hasConceptScore W1992122390C2780471494 @default.
- W1992122390 hasConceptScore W1992122390C55493867 @default.
- W1992122390 hasConceptScore W1992122390C59593255 @default.
- W1992122390 hasConceptScore W1992122390C67705224 @default.
- W1992122390 hasConceptScore W1992122390C8010536 @default.
- W1992122390 hasIssue "1-3" @default.
- W1992122390 hasLocation W19921223901 @default.
- W1992122390 hasOpenAccess W1992122390 @default.
- W1992122390 hasPrimaryLocation W19921223901 @default.
- W1992122390 hasRelatedWork W1984761979 @default.
- W1992122390 hasRelatedWork W1996420136 @default.
- W1992122390 hasRelatedWork W2000809861 @default.
- W1992122390 hasRelatedWork W2015346171 @default.
- W1992122390 hasRelatedWork W2040696125 @default.
- W1992122390 hasRelatedWork W2063468450 @default.
- W1992122390 hasRelatedWork W2162477001 @default.
- W1992122390 hasRelatedWork W2953103674 @default.
- W1992122390 hasRelatedWork W3190044890 @default.
- W1992122390 hasRelatedWork W4302592293 @default.
- W1992122390 hasVolume "16" @default.
- W1992122390 isParatext "false" @default.
- W1992122390 isRetracted "false" @default.
- W1992122390 magId "1992122390" @default.
- W1992122390 workType "article" @default.