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Journal Abstract Search

215 related items for PubMed ID: 30991803

  • 1. Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density.
    Tichauer RH, Favre G, Cabantous S, Brut M.
    J Phys Chem B; 2019 May 09; 123(18):3935-3944. PubMed ID: 30991803
    [Abstract] [Full Text] [Related]

  • 2. Water Distribution within Wild-Type NRas Protein and Q61 Mutants during Unrestrained QM/MM Dynamics.
    Tichauer RH, Favre G, Cabantous S, Landa G, Hemeryck A, Brut M.
    Biophys J; 2018 Oct 16; 115(8):1417-1430. PubMed ID: 30224050
    [Abstract] [Full Text] [Related]

  • 3. Comparison of ras-p21 bound to GDP and GTP: differences in protein and ligand dynamics.
    Mello LV, van Aalten DM, Findlay JB.
    Protein Eng; 1997 Apr 16; 10(4):381-7. PubMed ID: 9194162
    [Abstract] [Full Text] [Related]

  • 4. Mechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations.
    Grigorenko BL, Nemukhin AV, Shadrina MS, Topol IA, Burt SK.
    Proteins; 2007 Feb 01; 66(2):456-66. PubMed ID: 17094109
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  • 5. Mechanism of Guanosine Triphosphate Hydrolysis by the Visual Proteins Arl3-RP2: Free Energy Reaction Profiles Computed with Ab Initio Type QM/MM Potentials.
    Khrenova MG, Bulavko ES, Mulashkin FD, Nemukhin AV.
    Molecules; 2021 Jun 30; 26(13):. PubMed ID: 34208932
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  • 8. The hydration of Ras p21 in solution during GTP hydrolysis based on solution X-ray scattering profile.
    Fujisawa T, Uruga T, Yamaizumi Z, Inoko Y, Nishimura S, Ueki T.
    J Biochem; 1994 May 30; 115(5):875-80. PubMed ID: 7961601
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  • 10. Modeling the role of G12V and G13V Ras mutations in the Ras-GAP-catalyzed hydrolysis reaction of guanosine triphosphate.
    Khrenova MG, Mironov VA, Grigorenko BL, Nemukhin AV.
    Biochemistry; 2014 Nov 18; 53(45):7093-9. PubMed ID: 25339142
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  • 11. Quantitative Measurement of Intrinsic GTP Hydrolysis for Carcinogenic Glutamine 61 Mutants in H-Ras.
    Novelli ET, First JT, Webb LJ.
    Biochemistry; 2018 Nov 06; 57(44):6356-6366. PubMed ID: 30339365
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  • 12. QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.
    Grigorenko BL, Nemukhin AV, Topol IA, Cachau RE, Burt SK.
    Proteins; 2005 Aug 15; 60(3):495-503. PubMed ID: 15906320
    [Abstract] [Full Text] [Related]

  • 13. On the mechanism of guanosine triphosphate hydrolysis in ras p21 proteins.
    Langen R, Schweins T, Warshel A.
    Biochemistry; 1992 Sep 22; 31(37):8691-6. PubMed ID: 1390653
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  • 14. Theoretical IR spectroscopy based on QM/MM calculations provides changes in charge distribution, bond lengths, and bond angles of the GTP ligand induced by the Ras-protein.
    Klähn M, Schlitter J, Gerwert K.
    Biophys J; 2005 Jun 22; 88(6):3829-44. PubMed ID: 15805169
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  • 15. Role of glutamine-61 in the hydrolysis of GTP by p21H-ras: an experimental and theoretical study.
    Frech M, Darden TA, Pedersen LG, Foley CK, Charifson PS, Anderson MW, Wittinghofer A.
    Biochemistry; 1994 Mar 22; 33(11):3237-44. PubMed ID: 8136358
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  • 16. Molecular dynamics simulations of Gly-12-->Val mutant of p21(ras): dynamic inhibition mechanism.
    Futatsugi N, Tsuda M.
    Biophys J; 2001 Dec 22; 81(6):3483-8. PubMed ID: 11721009
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  • 17. The arginine finger of RasGAP helps Gln-61 align the nucleophilic water in GAP-stimulated hydrolysis of GTP.
    Resat H, Straatsma TP, Dixon DA, Miller JH.
    Proc Natl Acad Sci U S A; 2001 May 22; 98(11):6033-8. PubMed ID: 11371635
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  • 18. The role of magnesium for geometry and charge in GTP hydrolysis, revealed by quantum mechanics/molecular mechanics simulations.
    Rudack T, Xia F, Schlitter J, Kötting C, Gerwert K.
    Biophys J; 2012 Jul 18; 103(2):293-302. PubMed ID: 22853907
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  • 19. Ab initio study of the role of lysine 16 for the molecular switching mechanism of Ras protein p21.
    Futatsugi N, Hata M, Hoshino T, Tsuda M.
    Biophys J; 1999 Dec 18; 77(6):3287-92. PubMed ID: 10585950
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  • 20. X-ray crystal structures of transforming p21 ras mutants suggest a transition-state stabilization mechanism for GTP hydrolysis.
    Privé GG, Milburn MV, Tong L, de Vos AM, Yamaizumi Z, Nishimura S, Kim SH.
    Proc Natl Acad Sci U S A; 1992 Apr 15; 89(8):3649-53. PubMed ID: 1565661
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