BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

118 related articles for article (PubMed ID: 27031179)

  • 1. A dynamical approach to non-adiabatic electron transfers at the bio-inorganic interface.
    Zanetti-Polzi L; Corni S
    Phys Chem Chem Phys; 2016 Apr; 18(15):10538-49. PubMed ID: 27031179
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Electron transfer, decoherence, and protein dynamics: insights from atomistic simulations.
    Narth C; Gillet N; Cailliez F; Lévy B; de la Lande A
    Acc Chem Res; 2015 Apr; 48(4):1090-7. PubMed ID: 25730126
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct simulation of proton-coupled electron transfer across multiple regimes.
    Kretchmer JS; Miller TF
    J Chem Phys; 2013 Apr; 138(13):134109. PubMed ID: 23574210
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Protein electron transfer: Dynamics and statistics.
    Matyushov DV
    J Chem Phys; 2013 Jul; 139(2):025102. PubMed ID: 23862967
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Modeling and simulation of protein-surface interactions: achievements and challenges.
    Ozboyaci M; Kokh DB; Corni S; Wade RC
    Q Rev Biophys; 2016; 49():e4. PubMed ID: 26821792
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular basis of coupled protein and electron transfer dynamics of cytochrome c in biomimetic complexes.
    Alvarez-Paggi D; Martín DF; DeBiase PM; Hildebrandt P; Martí MA; Murgida DH
    J Am Chem Soc; 2010 Apr; 132(16):5769-78. PubMed ID: 20361782
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The thermodynamics of charge transfer in DNA photolyase: using thermodynamic integration calculations to analyse the kinetics of electron transfer reactions.
    Krapf S; Koslowski T; Steinbrecher T
    Phys Chem Chem Phys; 2010 Aug; 12(32):9516-25. PubMed ID: 20532362
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Mixed quantum classical calculation of proton transfer reaction rates: from deep tunneling to over the barrier regimes.
    Xie W; Xu Y; Zhu L; Shi Q
    J Chem Phys; 2014 May; 140(17):174105. PubMed ID: 24811623
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach.
    Shakib FA; Hanna G
    J Chem Phys; 2014 Jul; 141(4):044122. PubMed ID: 25084896
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics.
    Marsalek O; Uhlig F; VandeVondele J; Jungwirth P
    Acc Chem Res; 2012 Jan; 45(1):23-32. PubMed ID: 21899274
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA.
    Kubař T; Elstner M
    Phys Chem Chem Phys; 2013 Apr; 15(16):5794-813. PubMed ID: 23493847
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics.
    White AJ; Gorshkov VN; Wang R; Tretiak S; Mozyrsky D
    J Chem Phys; 2014 Nov; 141(18):184101. PubMed ID: 25399126
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.
    Reimers JR; McKemmish LK; McKenzie RH; Hush NS
    Phys Chem Chem Phys; 2015 Oct; 17(38):24641-65. PubMed ID: 26196265
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems.
    Kabbe G; Wehmeyer C; Sebastiani D
    J Chem Theory Comput; 2014 Oct; 10(10):4221-8. PubMed ID: 26588120
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Cytochrome C on a gold surface: investigating structural relaxations and their role in protein-surface electron transfer by molecular dynamics simulations.
    Siwko ME; Corni S
    Phys Chem Chem Phys; 2013 Apr; 15(16):5945-56. PubMed ID: 23493784
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath.
    Kim SY; Hammes-Schiffer S
    J Chem Phys; 2006 Jun; 124(24):244102. PubMed ID: 16821968
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A general theoretical model for electron transfer reactions in complex systems.
    Amadei A; Daidone I; Aschi M
    Phys Chem Chem Phys; 2012 Jan; 14(4):1360-70. PubMed ID: 22158942
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field.
    Heinz H; Lin TJ; Mishra RK; Emami FS
    Langmuir; 2013 Feb; 29(6):1754-65. PubMed ID: 23276161
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Disentangling electron tunneling and protein dynamics of cytochrome c through a rationally designed surface mutation.
    Alvarez-Paggi D; Meister W; Kuhlmann U; Weidinger I; Tenger K; Zimányi L; Rákhely G; Hildebrandt P; Murgida DH
    J Phys Chem B; 2013 May; 117(20):6061-8. PubMed ID: 23611698
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.